Person Image

    Education

    • Dr.rer.nat. (Physical Chemistry ), Universitat Inusbruck, Austria, 2534
    • วท.ม. (เคมีเชิงฟิสิกส์), จุฬาลงกรณ์มหาวิทยาลัย , ไทย, 2531
    • วท.บ. (เคมี ), จุฬาลงกรณ์มหาวิทยาลัย , ไทย, 2529

    Interest

    เคมีเชิงฟิสิกส์ เคมีคอมพิวเตอร์ Physical Chemistry, Computational Chemistry

    Resource

    • จำนวนหน่วยปฏิบัติการที่เข้าร่วม 1 หน่วย (หัวหน้าหน่วย 0 หน่วย, สมาชิก 1 หน่วย) ดังนี้คือ
    • จำนวนพื้นที่วิจัย 0.00 ตารางเมตร
    • จำนวนเครื่องมือวิจัย 0 ชิ้น

    งานวิจัยในรอบ 5 ปี

    Project

    งานวิจัยที่อยู่ระหว่างการดำเนินการ
    • ทุนใน 22 โครงการ (หัวหน้าโครงการ 1 โครงการ, ที่ปรึกษาโครงการ 10 โครงการ, ผู้ร่วมวิจัย 11 โครงการ)
    • ทุนนอก 0 โครงการ
    งานวิจัยที่เสร็จสิ้นแล้ว
    • ทุนใน 30 โครงการ (หัวหน้าโครงการ 3 โครงการ, ที่ปรึกษาโครงการ 17 โครงการ, ผู้ร่วมวิจัย 10 โครงการ)
    • ทุนนอก 30 โครงการ (หัวหน้าโครงการ 17 โครงการ, ที่ปรึกษาโครงการ 6 โครงการ, ผู้ร่วมวิจัย 6 โครงการ, อื่นๆ 1 โครงการ)

    แนวโน้มผลงานทั้งหมดเทียบกับแนวโน้มผลงานในรอบ 5 ปี

    Output

    • บทความ 331 เรื่อง (ตีพิมพ์ในวารสารวิชาการ 203 เรื่อง, นำเสนอในการประชุม/สัมมนา 128 เรื่อง)
    • ทรัพย์สินทางปัญญา 1 เรื่อง (ลิขสิทธิ์ 0 เรื่อง, เครื่องหมายการค้า 0 เรื่อง, อนุสิทธิบัตร 0 เรื่อง, สิทธิบัตร 1 เรื่อง)
    • สิ่งประดิษฐ์ 0 เรื่อง (ขึ้นทะเบียนพันธุ์พืช หรือพันธุ์สัตว์ หรือสิ่งประดิษฐ์ มก. 0 เรื่อง)
    • Unknown 9 เรื่อง (Unknown 9 เรื่อง)

    แนวโน้มการนำผลงานไปใช้ประโยชน์ในด้านต่างๆ

    Outcome

    • การนำผลงานไปใช้ประโยชน์ 33 เรื่อง (เชิงวิชาการ 33 เรื่อง, เชิงนโยบาย/บริหาร 0 เรื่อง, เชิงสาธารณะ 0 เรื่อง, เชิงพาณิชย์ 0 เรื่อง)

    รางวัลที่ได้รับ

    Award

    • รางวัลที่ได้รับ 14 เรื่อง (ประกาศเกียรติคุณ/รางวัลนักวิจัย 5 เรื่อง, รางวัลผลงานวิจัย/สิ่งประดิษฐ์ 7 เรื่อง, รางวัลผลงานนำเสนอในการประชุมวิชาการ 2 เรื่อง)

    นักวิจัยที่มีผลงานงานร่วมกันมากที่สุด 10 คนแรก


    Scopus h-index

    #Document titleAuthorsYearSourceCited by
    1In-silico ADME models: A general assessment of their utility in drug discovery applicationsGleeson M., Hersey A., Hannongbua S.2011Current Topics in Medicinal Chemistry,
    11(4), pp. 358-381
    166
    2Competitive inhibition of the dengue virus NS3 serine protease by synthetic peptides representing polyprotein cleavage sitesChanprapaph S., Saparpakorn P., Sangma C., Niyomrattanakit P., Hannongbua S., Angsuthanasombat C., Katzenmeier G.2005Biochemical and Biophysical Research Communications,
    330(4), pp. 1237-1246
    87
    3The challenges involved in modeling toxicity data in silico: A reviewGleeson M., Modi S., Bender A., Marchese Robinson R., Kirchmair J., Promkatkaew M., Hannongbua S., Glen R.2012Current Pharmaceutical Design,
    18(9), pp. 1266-1291
    84
    4Theoretical investigation on nevirapine and HIV-1 reverse transcriptase binding site interaction, based on ONIOM methodKuno M., Hannongbua S., Morokuma K.2003Chemical Physics Letters,
    380(3-4), pp. 456-463
    70
    53D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio CalculationsHannongbua S., Nivesanond K., Lawtrakul L., Pungpo P., Wolschann P.2001Journal of Chemical Information and Computer Sciences,
    41(3), pp. 848-855
    68
    6An electrochemical MIP sensor for selective detection of salbutamol based on a graphene/PEDOT:PSS modified screen printed carbon electrodeDechtrirat D., Sookcharoenpinyo B., Prajongtat P., Sriprachuabwong C., Sriprachuabwong C., Sanguankiat A., Tuantranont A., Hannongbua S.2018RSC Advances,
    8(1), pp. 206-212
    61
    7Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO2 surface for dye-sensitized solar cell applicationsPrajongtat P., Suramitr S., Nokbin S., Nakajima K., Mitsuke K., Hannongbua S.2017Journal of Molecular Graphics and Modelling,
    76, pp. 551-561
    59
    8A detailed binding free energy study of 2: 1 ligand-DNA complex formation by experiment and simulationTreesuwan W., Wittayanarakul K., Anthony N.G., Huchet G., Alniss H., Hannongbua S., Khalaf A.I., Suckling C.J., Parkinson J.A., MacKay S.P.2009Physical Chemistry Chemical Physics,
    11(45), pp. 10682-10693
    55
    9Complete reaction mechanisms of mercury oxidation on halogenated activated carbonRungnim C., Promarak V., Hannongbua S., Kungwan N., Namuangruk S.2016Journal of Hazardous Materials,
    310, pp. 253-260
    53
    10Chaetoglobins A and B, two unusual alkaloids from endophytic Chaetomium globosum cultureMing Ge H., Yun Zhang W., Ding G., Saparpakorn P., Chun Song Y., Hannongbua S., Xiang Tan R.2008Chemical Communications,
    (45), pp. 5978-5980
    52
    11Investigating the structural basis of arylamides to improve potency against M. tuberculosis strain through molecular dynamics simulationsPunkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Beyer A., Pungpo P.2010European Journal of Medicinal Chemistry,
    45(12), pp. 5585-5593
    52
    12Binding energy analysis for wild-type and Y181C mutant HIV-1 RT/8-Cl TIBO complex structures: Quantum chemical calculations based on the ONIOM methodSaen-Oon S., Saen-Oon S., Saen-Oon S., Kuno H., Kuno H., Hannongbua S.2005Proteins: Structure, Function and Genetics,
    61(4), pp. 859-869
    50
    13Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray CrystallographyKamsri P., Hanwarinroj C., Phusi N., Pornprom T., Chayajarus K., Punkvang A., Suttipanta N., Srimanote P., Suttisintong K., Songsiriritthigul C., Saparpakorn P., Hannongbua S., Rattanabunyong S., Seetaha S., Choowongkomon K., Sureram S., Kittakoop P., Kittakoop P., Kittakoop P., Hongmanee P., Santanirand P., Chen Z., Zhu W., Blood R.A., Takebayashi Y., Hinchliffe P., Mulholland A.J., Spencer J., Pungpo P.2020Journal of Chemical Information and Modeling,
    60(1), pp. 226-234
    47
    14Smart Design on the Cyclometalated Ligands of Iridium(III) Complexes for Facile Tuning of Phosphorescence Color Spanning from Deep-Blue to Near-InfraredChen Z., Wang L., Ho C.L., Chen S., Suramitr S., Plucksacholatarn A., Zhu N., Hannongbua S., Wong W.Y., Wong W.Y.2018Advanced Optical Materials,
    6(23), 1800824
    46
    15Comparative molecular field analysis of HIV-1 reverse transcriptase inhibitors in the class of 1[2-hyddroxyethoxy)-methyl]-6(phenylthio)thymineHannongbua S., Hannongbua S., Lawtrakul L., Sotriffer C., Rode B.1996Quantitative Structure-Activity Relationships,
    15(5), pp. 389-394
    43
    16Three-dimensional quantitative structure-activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysisPungpo P., Hannongbua S.2000Journal of Molecular Graphics and Modelling,
    18(6)
    41
    17Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitorsHannongbua S., Pungpo P., Limtrakul J., Wolschann P.1999Journal of Computer-Aided Molecular Design,
    13(6), pp. 563-577
    39
    18Anti-HIV-1 reverse transcriptase activities of hexane extracts from some asian medicinal plantsSilprasit K., Seetaha S., Pongsanaraku P., Hannongbua S., Choowongkomon K.2011Journal of Medicinal Plant Research,
    5(19), pp. 4899-4906
    36
    19The effect of edges and shapes on band gap energy in graphene quantum dotsKittiratanawasin L., Hannongbua S.2016Integrated Ferroelectrics,
    175(1), pp. 211-219
    35
    20Defining the membrane disruption mechanism of kalata B1 via coarse-grained molecular dynamics simulationsNawae W., Hannongbua S., Ruengjitchatchawalya M.2014Scientific Reports,
    4, 3933
    35
    21Photophysical properties for excited-state intramolecular proton transfer (ESIPT) reaction of N-salicylidene-o-aminophenol: Experimental and DFT based approachesKlinhom N., Saengsuwan N., Sriyab S., Prompinit P., Hannongbua S., Suramitr S.2019Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy,
    206, pp. 359-366
    35
    22Molecular dynamics of interactions between rigid and flexible antifolates and dihydrofolate reductase from pyrimethamine-sensitive and pyrimethamine-resistant plasmodium falciparumMokmak W., Chunsrivirot S., Chunsrivirot S., Hannongbua S., Yuthavong Y., Tongsima S., Kamchonwongpaisan S.2014Chemical Biology and Drug Design,
    84(4), pp. 450-461
    34
    23SAC-CI theoretical investigation on electronic structure of fluorene-thiophene oligomersPoolmee P., Ehara M., Hannongbua S., Nakatsuji H., Nakatsuji H.2005Polymer,
    46(17), pp. 6474-6481
    33
    24Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complexRungrotmongkol T., Mulholland A., Hannongbua S.2007Journal of Molecular Graphics and Modelling,
    26(1), pp. 1-13
    32
    25Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parametersHannongbua S., Lawtrakul L., Limtrakul J.1996Journal of Computer-Aided Molecular Design,
    10(2), pp. 145-152
    32
    26Photophysical properties and photochemistry of substituted cinnamates and cinnamic acids for UVB blocking: Effect of hydroxy, nitro, and fluoro substitutions at ortho, meta, and para positionsPromkatkaew M., Promkatkaew M., Suramitr S., Karpkird T., Wanichwecharungruang S., Ehara M., Ehara M., Hannongbua S.2014Photochemical and Photobiological Sciences,
    13(3), pp. 583-594
    32
    27Binding of huperzine A and galanthamine to acetylcholinesterase, based on ONIOM methodKitisripanya N., Kitisripanya N., Saparpakorn P., Wolschann P., Hannongbua S.2011Nanomedicine: Nanotechnology, Biology, and Medicine,
    7(1), pp. 60-68
    32
    28Elucidating the origin of the esterase activity of human serum albumin using QM/MM calculationsPhuangsawai O., Hannongbua S., Gleeson M.2014Journal of Physical Chemistry B,
    118(41), pp. 11886-11894
    31
    29Investigation on the binding of polycyclic aromatic hydrocarbons with soil organic matter: A theoretical approachSaparpakorn P., Jae H., Hannongbua S.2007Molecules,
    12(4), pp. 703-715
    30
    30Absorption and emission spectra of ultraviolet B blocking methoxy substituted cinnamates investigated using the symmetry-adapted cluster configuration interaction methodPromkatkaew M., Suramitr S., Karpkird T., Namuangruk S., Ehara M., Hannongbua S.2009Journal of Chemical Physics,
    131(22), 224306
    28
    31Bridge water mediates nevirapine binding to wild type and Y181C HIV-1 reverse transcriptase-Evidence from molecular dynamics simulations and MM-PBSA calculationsTreesuwan W., Hannongbua S.2009Journal of Molecular Graphics and Modelling,
    27(8), pp. 921-929
    28
    32Moisture-Resistant Electrospun Polymer Membranes for Efficient and Stable Fully Printable Perovskite Solar Cells Prepared in Humid AirPrajongtat P., Sriprachuabwong C., Wongkanya R., Dechtrirat D., Sudchanham J., Srisamran N., Sangthong W., Chuysinuan P., Tuantranont A., Hannongbua S., Chattham N.2019ACS Applied Materials and Interfaces,
    11(31), pp. 27677-27685
    24
    33Simple and rapid determination of the enzyme kinetics of HIV-1 reverse transcriptase and anti-HIV-1 agents by a fluorescence based methodSilprasit K., Thammaporn R., Tecchasakul S., Hannongbua S., Choowongkomon K.2011Journal of Virological Methods,
    171(2), pp. 381-387
    23
    34Evaluation of the anti-malarial activity and cytotoxicity of 2,4-diamino-pyrimidine-based kinase inhibitorsPhuangsawai O., Beswick P., Ratanabunyong S., Tabtimmai L., Suphakun P., Obounchoey P., Srisook P., Horata N., Chuckowree I., Hannongbua S., Ward S., Choowongkomon K., Gleeson M.2016European Journal of Medicinal Chemistry,
    124, pp. 896-905
    23
    35Particular interaction between efavirenz and the HIV-1 reverse transcriptase binding site as explained by the ONIOM2 methodNunrium P., Kuno M., Saen-Oon S., Hannongbua S.2005Chemical Physics Letters,
    405(1-3), pp. 198-202
    23
    36Conformational analysis and electronic transition of carbazole-based oligomers as explained by density functional theorySuramitr S., Hannongbua S., Wolschann P.2007Journal of Molecular Structure: THEOCHEM,
    807(1-3), pp. 109-119
    23
    37Absorption and emission properties of various substituted cinnamic acids and cinnamates, based on TDDFT investigationPromkatkaew M., Suramitr S., Karpkird T., Ehara M., Hannongbua S.2013International Journal of Quantum Chemistry,
    113(4), pp. 542-554
    22
    38Oligostilbenoids with acetylcholinesterase inhibitory activity from Dipterocarpus alatusChen C.J., Jiang R., Wang G., Jiao R.H., Tancharoen C., Sudto K., Vajarothai S., Hannongbua S., Ge H.M., Tan R.X.2014Planta Medica,
    80(17), pp. 1641-1646
    22
    393D pharmacophore mapping using 4D QSAR analysis for the cytotoxicity of lamellarins against human hormone-dependent T47D breast cancer cellsThipnate P., Thipnate P., Liu J., Liu J., Hannongbua S., Hannongbua S., Hopfinger A., Hopfinger A.2009Journal of Chemical Information and Modeling,
    49(10), pp. 2312-2322
    22
    40Understanding on absorption and fluorescence electronic transitions of carbazole-based conducting polymers: TD-DFT approachesSuramitr S., Meeto W., Wolschann P., Hannongbua S.2009Theoretical Chemistry Accounts,
    125(1), pp. 35-44
    21
    41Theoretical study on the structures and electronic properties of oligo(p-phenylenevinylene) carboxylic acid and its derivatives: Effects of spacer and anchor groupsSuramitr S., Piriyagagoon A., Wolschann P., Hannongbua S.2012Theoretical Chemistry Accounts,
    131(4), pp. 1-15, 1209
    21
    42Chevalone C analogues and globoscinic acid derivatives from the fungus Neosartorya spinosa KKU-1NK1Rajachan O., Kanokmedhakul K., Sanmanoch W., Boonlue S., Hannongbua S., Saparpakorn P., Kanokmedhakul S.2016Phytochemistry,
    132, pp. 68-75
    21
    43Virtual screening for anti-HIV-1 RT and anti-HIV-1 PR inhibitors from the Thai medicinal plants database: A combined docking with neural networks approachSangma C., Chuakheaw D., Jongkon N., Saenbandit K., Nunrium P., Uthayopas P., Hannongbua S.2005Combinatorial Chemistry and High Throughput Screening,
    8(5), pp. 417-429
    21
    44In silico screening of epidermal growth factor receptor (EGFR) in the tyrosine kinase domain through a medicinal plant compound databaseSawatdichaikul O., Hannongbua S., Sangma C., Wolschann P., Choowongkomon K.2012Journal of Molecular Modeling,
    18(3), pp. 1241-1254
    20
    45Bridged tricyclic sesquiterpenes from the tubercle nudibranch Phyllidia coelestis BerghJaisamut S., Prabpai S., Tancharoen C., Yuenyongsawad S., Hannongbua S., Kongsaeree P., Plubrukarn A.2013Journal of Natural Products,
    76(11), pp. 2158-2161
    20
    46Interactions between cycloguanil derivatives and wild type and resistance-associated mutant Plasmodium falciparum dihydrofolate reductasesMaitarad P., Maitarad P., Kamchonwongpaisan S., Vanichtanankul J., Vilaivan T., Yuthavong Y., Hannongbua S.2009Journal of Computer-Aided Molecular Design,
    23(4), pp. 241-252
    20
    47Binding interaction of protoberberine alkaloids against acetylcholinesterase (AChE) using molecular dynamics simulations and QM/MM calculationsHonorio P., Sainimnuan S., Hannongbua S., Saparpakorn P.2021Chemico-Biological Interactions,
    344, 109523
    20
    48Structure and Dynamics of SARS Coronavirus Proteinase: The Primary Key to the Designing and Screening for Anti-SARS DrugsLee V.S., Lee V.S., Wittayanarakul K., Remsungnen T., Parasuk V., Sompornpisut P., Chantratita W., Sangma C., Vannarat S., Srichaikul P., Hannongbua S., Saparpakorn P., Treesuwan W., Aruksakulwong O., Pasomsub E., Promsri S., Chuakheaw D., Hannongbua S.2003ScienceAsia,
    29(2), pp. 181-188
    20
    49Surface-modified halloysite nanotubes as electrochemical CO2SensorsJeamjumnunja K., Cheycharoen O., Phongzitthiganna N., Hannongbua S., Prasittichai C.2021ACS Applied Nano Materials19
    50Skin sensitization prediction using quantum chemical calculations: A theoretical model for the SNAr domainPromkatkaew M., Gleeson D., Hannongbua S., Gleeson M.2014Chemical Research in Toxicology,
    27(1), pp. 51-60
    19
    51ONIOM-BSSE scheme for H⋯π system and applications on HIV-1 reverse transcriptaseKuno M., Hongkrengkai R., Hannongbua S.2006Chemical Physics Letters,
    424(1-3), pp. 172-177
    19
    52Conformational analysis of nevirapine, a non-nucleoside HIV-1 reverse transcriptase inhibitor, based on quantum mechanical calculationsHannongbua S., Prasithichokekul S., Pungpo P.2001Journal of Computer-Aided Molecular Design,
    15(11), pp. 997-1004
    19
    53Hologram quantitative structure-activity relationships investigations of non-nucleoside reverse transcriptase inhibitorsPungpo P., Pungpo P., Hannongbua S., Wolschann P.2003Current Medicinal Chemistry,
    10(17), pp. 1661-1677
    18
    54Catalytic properties of a free hydroxyl on a silica, a zeolite, and modified zeolites: quantum-chemical model calculationsLimtrakul J., Hannongbua S.1993Journal of Molecular Structure: THEOCHEM,
    280(1), pp. 139-145
    18
    55Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h2o)1-5 clusters in the gas phaseKungwan N., Kerdpol K., Daengngern R., Hannongbua S., Barbatti M.2014Theoretical Chemistry Accounts,
    133(5), pp. 1-11, 1480
    18
    56Adsorption study of lac dyes with chitosan coated on silk fibroin using molecular dynamics simulationsChimprasit A., Hannongbua S., Saparpakorn P.2021Journal of Molecular Graphics and Modelling,
    106, 107934
    18
    57Tetrafluorinated phenylpyridine based heteroleptic iridium(iii) complexes for efficient sky blue phosphorescent organic light-emitting diodesChen Z., Chen Z., Suramitr S., Zhu N., Ho C.L., Ho C.L., Hannongbua S., Chen S., Wong W.Y., Wong W.Y., Wong W.Y.2020Journal of Materials Chemistry C,
    8(7), pp. 2551-2557
    17
    58QM/MM modeling of the hydrolysis and transfructosylation reactions of fructosyltransferase from Aspergillus japonicas, an enzyme that produces prebiotic fructooligosaccharideJitonnom J., Ketudat-Cairns J., Hannongbua S.2018Journal of Molecular Graphics and Modelling,
    79, pp. 175-184
    17
    59Identification of Potent DNA Gyrase Inhibitors Active against Mycobacterium tuberculosisPakamwong B., Thongdee P., Kamsri B., Phusi N., Kamsri P., Punkvang A., Ketrat S., Saparpakorn P., Hannongbua S., Ariyachaokun K., Suttisintong K., Sureram S., Kittakoop P., Kittakoop P., Kittakoop P., Hongmanee P., Santanirand P., Spencer J., Mulholland A.J., Pungpo P.2021Journal of Chemical Information and Modeling17
    60Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanolDaengngern R., Kerdpol K., Kungwan N., Hannongbua S., Barbatti M.2013Journal of Photochemistry and Photobiology A: Chemistry,
    266, pp. 28-36
    17
    61A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysisJitonnom J., Sattayanon C., Kungwan N., Hannongbua S.2015Journal of Molecular Graphics and Modelling,
    56, pp. 53-59
    17
    62Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigationChidthong R., Hannongbua S., Aquino A., Aquino A., Wolschann P., Lischka H.2007Journal of Computational Chemistry,
    28(10), pp. 1735-1742
    17
    63A combined MD-ONIOM2 approach for 1H NMR chemical shift calculations including a polar solventVailikhit V., Treesuwan W., Hannongbua S.2007Journal of Molecular Structure: THEOCHEM,
    806(1-3), pp. 99-104
    17
    64Aggregation-induced emission enhancement (AIEE) of N,N′-Bis(Salicylidene)-p-Phenylenediamine Schiff base: Synthesis, photophysical properties and its DFT studiesMiengmern N., Koonwong A., Sriyab S., Suramitr A., Poo-arporn R., Hannongbua S., Suramitr S.2019Journal of Luminescence,
    210, pp. 493-500
    17
    65Application of Site-Specific Spin Labeling for NMR Detecting Inhibitor-Induced Conformational Change of HIV-1 Reverse TranscriptaseSeetaha S., Seetaha S., Yagi-Utsumi M., Yagi-Utsumi M., Yamaguchi T., Yamaguchi T., Yamaguchi T., Ishii K., Hannongbua S., Choowongkomon K., Kato K., Kato K., Kato K.2016ChemMedChem,
    11(4), pp. 363-366
    16
    66A study of the binding energies of efavirenz to wild-type and K103N/Y181C HIV-1 reverse transcriptase based on the ONIOM methodSrivab P., Hannongbua S.2008ChemMedChem,
    3(5), pp. 803-811
    16
    67Structures, absorption spectra, and electronic properties of polyfluorene and its derivatives: A theoretical studySriwichitkamol K., Suramitr S., Poolmee P., Hannongbua S.2006Journal of Theoretical and Computational Chemistry,
    5(3), pp. 595-608
    16
    68Molecular mechanics PBSA ligand binding energy and interaction of Efavirenz derivatives with HIV-1 reverse transcriptaseWeinzinger P., Hannongbua S., Wolschann P.2005Journal of Enzyme Inhibition and Medicinal Chemistry,
    20(2), pp. 129-134
    15
    69Insight into HIV-1 reverse transcriptase - Aptamer interaction from molecular dynamics simulationsAeksiri N., Songtawee N., Gleeson M., Hannongbua S., Choowongkomon K.2014Journal of Molecular Modeling,
    20(8), 2380
    15
    70NMR characterization of HIV-1 reverse transcriptase binding to various non-nucleoside reverse transcriptase inhibitors with different activitiesThammaporn R., Thammaporn R., Yagi-Utsumi M., Yagi-Utsumi M., Yamaguchi T., Yamaguchi T., Boonsri P., Saparpakorn P., Choowongkomon K., Techasakul S., Kato K., Kato K., Hannongbua S.2015Scientific Reports,
    5, 15806
    15
    71Photophysical properties of 1-pyrene-based derivatives for nitroaromatic explosives detection: Experimental and theoretical studiesSriyab S., Jorn-Iat K., Prompinit P., Wolschann P., Hannongbua S., Suramitr S.2018Journal of Luminescence,
    203, pp. 492-499
    15
    72Molecular dynamics exploration of poration and leaking caused by Kalata B1 in HIV-infected cell membrane compared to host and HIV membranesNawae W., Hannongbua S., Ruengjitchatchawalya M.2017Scientific Reports,
    7(1), 3638
    14
    73Active site dynamics and catalytic mechanism in arabinan hydrolysis catalyzed by GH43 endo-arabinanase from QM/MM molecular dynamics simulation and potential energy surfaceMeelua W., Wanjai T., Thinkumrob N., Oláh J., Mujika J.I., Ketudat-Cairns J.R., Hannongbua S., Jitonnom J.2021Journal of Biomolecular Structure and Dynamics14
    74Ranking ligand affinity for the DNA minor groove by experiment and simulationWittayanarakul K., Anthony N.G., Treesuwan W., Hannongbua S., Alniss H., Khalaf A.I., Suckling C.J., Parkinson J.A., MacKay S.P.2010ACS Medicinal Chemistry Letters,
    1(8), pp. 376-380
    14
    75Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanolKungwan N., Daengngern R., Piansawan T., Hannongbua S., Barbatti M.2013Theoretical Chemistry Accounts,
    132(11), pp. 1-10, 1397
    14
    76Particular interaction between pyrimethamine derivatives and quadruple mutant type dihydrofolate reductase of Plasmodium falciparum: CoMFA and quantum chemical calculations studiesMaitarad P., Saparpakorn P., Hannongbua S., Kamchonwongpaisan S., Tarnchompoo B., Yuthavong Y.2009Journal of Enzyme Inhibition and Medicinal Chemistry,
    24(2), pp. 471-479
    13
    77Key interactions of the mutant HIV-1 reverse transcriptase/efavirenz: An evidence obtained from ONIOM methodBoonsri P., Kuno M., Hannongbua S.2011MedChemComm,
    2(12), pp. 1181-1187
    13
    78Insight into crucial inhibitor-enzyme interaction of arylamides as novel direct inhibitors of the enoyl ACP reductase (InhA) from Mycobacterium tuberculosis: Computer-aided molecular designPunkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Berner H., Pungpo P.2010Monatshefte fur Chemie,
    141(9), pp. 1029-1041
    13
    79Theoretical investigation on the electronic and optical properties of poly(fluorenevinylene) derivatives as light-emitting materialsKungwan N., Yakhanthip T., Jitonnom J., Anuragudom P., Jungsuttiwong S., Hannongbua S.2011International Journal of Photoenergy,
    2011, 570103
    13
    80Electronic properties of alkoxy derivatives of poly(para-phenylenevinylene) , investigated by time-dependent density functional theory calculationsSuramitr S., Kerdcharoen T., Kerdcharoen T., Srikhirin T., Srikhirin T., Hannongbua S.2005Synthetic Metals,
    155(1), pp. 27-34
    13
    81Accessible charges in structure-activity relationships. A study on HEPT- based HIV-1 RT inhibitorsKlein C., Lawtrakul L., Hannongbua S., Wolschann P.2000Scientia Pharmaceutica,
    68(1), pp. 25-40
    12
    82Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene-phenylene), based on TD-DFT investigationChidthong R., Hannongbua S.2010Journal of Computational Chemistry,
    31(7), pp. 1450-1457
    12
    83Elucidating drug-enzyme interactions and their structural basis for improving the affinity and potency of isoniazid and its derivatives based on computer modeling approachesPunkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Pungpo P.2010Molecules,
    15(4), pp. 2791-2813
    12
    84Study of the removal of a disperse dye stain from a polyester/elastane blendSuwanruji P., Chuaybamrung L., Suesat J., Hannongbua S., Taylor J., Phillips D.2012Coloration Technology,
    128(2), pp. 103-107
    12
    85Insight into the structural requirements of aminopyrimidine derivatives for good potency against both purified enzyme and whole cells of M. tuberculosis: Combination of HQSAR, CoMSIA, and MD simulation studiesPunkvang A., Hannongbua S., Saparpakorn P., Pungpo P.2016Journal of Biomolecular Structure and Dynamics,
    34(5), pp. 1079-1091
    12
    86Terezine derivatives from the fungus Phoma herbarum PSU-H256Maha A., Rukachaisirikul V., Saithong S., Phongpaichit S., Poonsuwan W., Sakayaroj J., Saparpakorn P., Hannongbua S.2016Phytochemistry,
    122, pp. 223-229
    12
    87A novel prediction approach for antimalarial activities of Trimethoprim, Pyrimethamine, and Cycloguanil analogues using extremely randomized treesNattee C., Khamsemanan N., Lawtrakul L., Toochinda P., Hannongbua S.2017Journal of Molecular Graphics and Modelling,
    71, pp. 13-27
    12
    88Spectroscopy and a theoretical study of colorimetric sensing of fluoride ions by salicylidene based Schiff base derivativesNakwanich B., Koonwong A., Suramitr A., Prompinit P., Poo-arporn R.P., Hannongbua S., Suramitr S.2021Journal of Molecular Structure,
    1245, 131132
    12
    89A fungal metabolite zearalenone as a CFTR inhibitor and potential therapy of secretory diarrheasMuangnil P., Satitsri S., Tadpetch K., Saparpakorn P., Chatsudthipong V., Hannongbua S., Rukachaisirikul V., Muanprasat C.2018Biochemical Pharmacology,
    150, pp. 293-304
    11
    90Risk factors and clinical and laboratory findings associated with feline immunodeficiency virus and feline leukemia virus infections in Bangkok, ThailandRungsuriyawiboon O., Jarudecha T., Hannongbua S., Choowongkomon K., Boonkaewwan C., Rattanasrisomporn J.2022Veterinary World,
    15(7), pp. 1601-1609
    11
    91In silico and in vitro studies of potential inhibitors against Dengue viral protein NS5 Methyl Transferase from Ginseng and NotoginsengJarerattanachat V., Boonarkart C., Hannongbua S., Auewarakul P., Ardkhean R.2022Journal of Traditional and Complementary Medicine11
    92A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinaseMeelua W., Wanjai T., Thinkumrob N., Oláh J., Cairns J.R.K., Hannongbua S., Ryde U., Jitonnom J.2023Physical Chemistry Chemical Physics11
    93Inhibitory effects of 2-substituted-1-naphthol derivatives on cyclooxygenase I and IIKongkathip B., Sangma C., Kirtikara K., Luangkamin S., Hasitapan K., Jongkon N., Hannongbua S., Kongkathip N.2005Bioorganic and Medicinal Chemistry,
    13(6), pp. 2167-2175
    11
    94Conformational study of the HIV-1 reverse transcriptase inhibitor 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT)Lawtrakul L., Hannongbua S., Beyer A., Wolschann P.1999Biological Chemistry,
    380(2), pp. 265-267
    11
    95DFT/TD-DFT investigation on the photoinduced electron transfer of diruthenium and viologen complexesPromkatkaew M., Suramitr S., Karpkird T., Ehara M., Hannongbua S.2020Journal of Luminescence,
    222, 117121
    11
    96Anti-HIV-1 reverse transcriptase activities of hexane extracts from some Asian medicinal plantsSilprasit K., Seetaha S., Pongsanarakul P., Hannongbua S., Choowongkomon K.2011Journal of Medicinal Plants Research,
    5(17), pp. 4194-4201
    11
    97Synthesis and evaluation of the NSCLC anti-cancer activity and physical properties of 4-aryl-N-phenylpyrimidin-2-aminesToviwek B., Suphakun P., Choowongkomon K., Hannongbua S., Gleeson M., Gleeson M.2017Bioorganic and Medicinal Chemistry Letters,
    27(20), pp. 4749-4754
    11
    98Design, synthesis and evaluation of N 2 ,N 4 -diaminoquinazoline based inhibitors of phosphodiesterase type 5Pobsuk N., Paracha T., Chaichamnong N., Salaloy N., Suphakun P., Hannongbua S., Choowongkomon K., Pekthong D., Chootip K., Ingkaninan K., Gleeson M.2019Bioorganic and Medicinal Chemistry Letters,
    29(2), pp. 267-270
    11
    99Quantitative structure-activity relationships of HIV-1 RT inhibitors in the class of 1-[(2-hydroxyethoxy)methyl]-5,6-substituted thymine [HEPT] analoguesLawtrakul L., Hannongbua S.1999Scientia Pharmaceutica,
    67(1), pp. 43-56
    10
    100Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl TIBO as Explained by Potential Energy Surface and 13C and 1H NMR Calculations, Based on ab initio and Density Functional StudySaen-Oon S., Hannongbua S., Wolschann P.2003Journal of Chemical Information and Computer Sciences,
    43(5), pp. 1412-1422
    10
    101Mechanistic study of HIV-1 reverse transcriptase at the active site based on QM/MM methodRungrotmongkol T., Hannongbua S., Mulholland A.2004Journal of Theoretical and Computational Chemistry,
    3(4), pp. 491-500
    10
    102Enhancement of the solubility, thermal stability, and electronic properties of carbon nanotubes functionalized with MEH-PPV: A combined experimental and computational studyPrajongtat P., Suramitr S., Gleeson M., Mitsuke K., Mitsuke K., Mitsuke K., Hannongbua S.2013Monatshefte fur Chemie,
    144(7), pp. 925-935
    10
    103QM/MM simulations indicate that Asp185 is the likely catalytic base in the enzymatic reaction of HIV-1 reverse transcriptaseRungrotmongkol T., Mulholland A., Hannongbua S.2014MedChemComm,
    5(5), pp. 593-596
    10
    104Subcritical Water Extraction of Resveratrol from Barks of Shorea Roxburghii G. DonChainukool S., Goto M., Hannongbua S., Shotipruk A.2014Separation Science and Technology (Philadelphia),
    49(13), pp. 2073-2078
    10
    105Development of new thiocyanate-free Ruthenium(II) dyes bearing isoquinoline chromophores for hydrogen production via water splittingYao X., Ho P.Y., Yiu S.C., Suramitr S., Li W.B., Ho C.L., Hannongbua S.2022Dyes and Pigments,
    205, 110508
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    106Theoretical study of the arabinan hydrolysis by an inverting GH43 arabinanaseJitonnom J., Hannongbua S.2018Molecular Simulation,
    44(8), pp. 631-637
    10
    107Simulation Study of Interactions Between Two Bioactive Components from Zingiber cassumunar and 5-LipoxygenaseJitapunkul K., Poachanukoon O., Hannongbua S., Toochinda P., Lawtrakul L.2018Cellular and Molecular Bioengineering,
    11(1), pp. 77-89
    9
    108In silico design of novel quinazoline-based compounds as potential Mycobacterium tuberculosis PknB inhibitors through 2D and 3D-QSAR, molecular dynamics simulations combined with pharmacokinetic predictionsHanwarinroj C., Thongdee P., Sukchit D., Taveepanich S., Kamsri P., Punkvang A., Ketrat S., Saparpakorn P., Hannongbua S., Suttisintong K., Kittakoop P., Kittakoop P., Kittakoop P., Spencer J., Mulholland A.J., Pungpo P.2022Journal of Molecular Graphics and Modelling,
    115, 108231
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    109Structural basis for inhibition of a GH116 β-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical studyMeelua W., Thinkumrob N., Saparpakorn P., Pengthaisong S., Hannongbua S., Ketudat Cairns J.R., Jitonnom J.2023Chemico-Biological Interactions,
    384, 110717
    9
    1103D-QSAR and molecular docking studies of peptide-hybrids as dengue virus NS2B/NS3 protease inhibitorsJitonnom J., Meelua W., Tue-nguen P., Tue-nguen P., Saparpakorn P., Hannongbua S., Chotpatiwetchkul W.2024Chemico-Biological Interactions,
    396, 111040
    9
    111Bis(phenothiazyl-ethynylene)-Based Organic Dyes Containing Di-Anchoring Groups with Efficiency Comparable to N719 for Dye-Sensitized Solar CellsSiu C.H., Lee L.T.L., Ho P.Y., Ho P.Y., Ho C.L., Ho C.L., Chen T., Chen T., Suramitr S., Hannongbua S., Xie Z., Wei M., Wong W.Y., Wong W.Y., Wong W.Y., Wong W.Y.2017Chemistry - An Asian Journal,
    12(3), pp. 332-340
    9
    112Elucidating structural basis of benzofuran pyrrolidine pyrazole derivatives for enhancing potency against both the InhA enzyme and intact M. tuberculosis cells: a combined MD simulations and 3D-QSAR studyKamsri P., Punkvang A., Hannongbua S., Saparpakorn P., Pungpo P.2015RSC Advances,
    5(65), pp. 52926-52937
    9
    113Effects of reactive red 239 on developing zebrafish (Danio rerio) embryosJungtanasombut W., Preeprem P., Kovitvadhi S., Kovitvadhi U., Hannongbua S.2014Kasetsart Journal - Natural Science,
    48(4), pp. 619-628
    9
    114Recent advances in NNRTI design: Computer-aided molecular design approachesPungpo P., Punkvang A., Saparpakorn P., Wolschann P., Hannongbua S.2009Current Computer-Aided Drug Design,
    5(3), pp. 174-199
    9
    115Investigation on an Orientation and Interaction Energy of the Water Molecule in the HIV-1 Reverse Transcriptase Active Site by Quantum Chemical CalculationsKuno M., Palangsuntikul R., Hannongbua S.2003Journal of Chemical Information and Computer Sciences,
    43(5), pp. 1584-1590
    9
    116Elucidation of vasodilation response and structure activity relationships of N2,N4-disubstituted quinazoline 2,4-diamines in a rat pulmonary artery modelParacha T., Pobsuk N., Salaloy N., Suphakun P., Pekthong D., Hannongbua S., Choowongkomon K., Khorana N., Temkitthawon P., Ingkaninan K., Gleeson M., Chootip K.2019Molecules,
    24(2), 281
    9
    117Novel peptides with HIV-1 reverse transcriptase inhibitory activity derived from the fruits of Quercus infectoriaSeetaha S., Hannongbua S., Rattanasrisomporn J., Choowongkomon K.2020Chemical Biology and Drug Design9
    118Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: Density functional and ONIOM study and principal component analysisTreesuwan W., Hirao H., Hirao H., Morokuma K., Hannongbua S.2012Journal of Molecular Modeling,
    18(5), pp. 2227-2240
    8
    119Molecular calculations on the conformation of the HIV-1 reverse transcriptase inhibitor 1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)thymine (HEPT)Lawtrakul L., Hannongbua S., Beyer A., Wolschann P.1999Monatshefte fur Chemie,
    130(11), pp. 1347-1363
    8
    120Quantitative Structural Rearrangement of HIV-1 reverse transcriptase on binding to non-nucleoside inhibitorsLawtrakul L., Beyer A., Hannongbua S., Wolschann P.2004Monatshefte fur Chemie,
    135(8), pp. 1033-1046
    8
    121Effects of the CN and NH2 substitutions on the geometrical and optical properties of model vinylfluorenes, based on DFT calculationsMeeto W., Suramitr S., Lukeš V., Wolschann P., Hannongbua S.2010Journal of Molecular Structure: THEOCHEM,
    939(1-3), pp. 75-81
    8
    122CoMFA and CoMSIA studies on a new series of xanthone derivatives against the oral human epidermoid carcinoma (KB) cancer cell lineSuphavanich K., Maitarad P., Hannongbua S., Sudta P., Suksamrarn S., Tantirungrotechai Y., Limtrakul J.2009Monatshefte fur Chemie,
    140(3), pp. 273-280
    8
    123Molecular docking and NMR binding studies to identify novel inhibitors of human phosphomevalonate kinaseBoonsri P., Boonsri P., Neumann T., Olson A., Cai S., Herdendorf T., Miziorko H., Hannongbua S., Sem D.2013Biochemical and Biophysical Research Communications,
    430(1), pp. 313-319
    8
    124Dynamic scenario of membrane binding process of Kalata B1Nawae W., Hannongbua S., Ruengjitchatchawalya M.2014PLoS ONE,
    9(12), e114473
    8
    125Divide-and-conquer-based quantum chemical study for interaction between HIV-1 reverse transcriptase and MK-4965 inhibitorSaparpakorn P., Saparpakorn P., Kobayashi M., Kobayashi M., Hannongbua S., Nakai H., Nakai H.2013International Journal of Quantum Chemistry,
    113(4), pp. 510-517
    8
    126Preparation, biological & cheminformatics-based assessment of N2,N4-diphenylpyrimidine-2,4-diamine as potential Kinase-targeted antimalarialsToviwek B., Toviwek B., Phuangsawai O., Konsue A., Hannongbua S., Riley J., Mutter N., Anderson M., Webster L., Hallyburton I., Read K.D., Gleeson M.P.2021Bioorganic and Medicinal Chemistry,
    46, 116348
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    127Characterization of New DNA Aptamers for Anti-HIV-1 Reverse TranscriptaseRatanabunyong S., Aeksiri N., Yanaka S., Yagi-Utsumi M., Kato K., Choowongkomon K., Hannongbua S.2020ChemBioChem7
    128Ligand-Based Virtual Screening for Discovery of Indole Derivatives as Potent DNA Gyrase ATPase Inhibitors Active against Mycobacterium tuberculosis and Hit Validation by Biological AssaysPakamwong B., Thongdee P., Kamsri B., Phusi N., Taveepanich S., Chayajarus K., Kamsri P., Punkvang A., Hannongbua S., Sangswan J., Suttisintong K., Sureram S., Kittakoop P., Kittakoop P., Kittakoop P., Hongmanee P., Santanirand P., Leanpolchareanchai J., Spencer J., Mulholland A.J., Pungpo P.2024Journal of Chemical Information and Modeling7
    129Binding interactions and in silico ADME prediction of isoconessimine derivatives as potent acetylcholinesterase inhibitorsTue-ngeun P., Tue-ngeun P., Rakitikul W., Rakitikul W., Thinkumrob N., Hannongbua S., Meelua W., Jitonnom J.2024Journal of Molecular Graphics and Modelling,
    129, 108746
    7
    130Virtual Screening Identifies Novel and Potent Inhibitors of Mycobacterium tuberculosis PknB with Antibacterial ActivityThongdee P., Hanwarinroj C., Pakamwong B., Kamsri P., Punkvang A., Leanpolchareanchai J., Ketrat S., Saparpakorn P., Hannongbua S., Ariyachaokun K., Suttisintong K., Sureram S., Kittakoop P., Kittakoop P., Kittakoop P., Hongmanee P., Santanirand P., Mukamolova G.V., Blood R.A., Takebayashi Y., Spencer J., Mulholland A.J., Pungpo P.2022Journal of Chemical Information and Modeling7
    131QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase: A catabolic protein isolated from Aspergillus nigerChotpatiwetchkul W., Jongkon N., Hannongbua S., Gleeson M.2016Journal of Molecular Graphics and Modelling,
    68, pp. 29-38
    7
    132Exploring the molecular basis for selective cytotoxicity of lamellarins against human hormone-dependent T47D and hormone-independent MDA-MB-231 breast cancer cellsThipnate P., Chittchang M., Thasana N., Saparpakorn P., Ploypradith P., Hannongbua S.2011Monatshefte fur Chemie,
    142(1), pp. 97-109
    7
    133Probing the structural requirements for antitubercular activity of scalarane derivatives using 2D-QSAR and CoMFA approachesThengyai S., Maitarat P., Hannongbua S., Suwanborirux K., Plubrukarn A., Plubrukarn A.2010Monatshefte fur Chemie,
    141(6), pp. 621-629
    7
    134Substrate induced structural and dynamics changes in human phosphomevalonate kinase and implications for mechanismOlson A.L., Yao H., Herdendorf T.J., Miziorko H.M., Hannongbua S., Saparpakorn P., Cai S., Sem D.S.2009Proteins: Structure, Function and Bioinformatics,
    75(1), pp. 127-138
    7
    135QM methods in structure based design: Utility in probing protein-ligand interactionsGleeson M., Hannongbua S., Gleeson D.2010Journal of Molecular Graphics and Modelling,
    29(4), pp. 507-517
    7
    136Structural information and computational methods used in design of neuraminidase inhibitorsSangma C., Hannongbua S.2007Current Computer-Aided Drug Design,
    3(2), pp. 113-132
    7
    137Novel 2-chloro-8-arylthiomethyldipyridodiazepinone derivatives with activity against HIV-1 reverse transcriptaseKhunnawutmanotham N., Chimnoi N., Saparpakorn P., Pungpo P., Louisirirotchanakul S., Hannongbua S., Techasakul S., Techasakul S.2007Molecules,
    12(2), pp. 218-230
    7
    138Systematic investigation of non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs)Beyer A., Lawtrakul L., Hannongbua S., Wolschann P.2004Monatshefte fur Chemie,
    135(8), pp. 1047-1059
    6
    139Use of Capillary Electrophoresis to Study the Binding Interaction of Aptamers with Wild-Type, K103N, and Double Mutant (K103N/Y181C) HIV-1 RT: Studying the Binding Interaction of Wild-Type, K103N, and Double Mutant (K103N/Y181C) HIV-1 RT with Aptamers by Performing the Capillary ElectrophoresisAeksiri N., Aeksiri N., Warakulwit C., Hannongbua S., Unajak S., Choowongkomon K.2017Applied Biochemistry and Biotechnology,
    182(2), pp. 546-558
    6
    140Investigation of excited-state properties of fluorene-thiophene oligomers by the SAC-CI theoretical approachPoolmee P., Hannongbua S.2010Journal of Computational Chemistry,
    31(10), pp. 1945-1955
    6
    141Roles of hybrid donepezil scaffolds as potent human acetylcholinesterase inhibitors using in silico interaction analysis, drug-likeness, and pharmacokinetics predictionHonorio P., Hannongbua S., Saparpakorn P.2022Chemico-Biological Interactions,
    368, 110227
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    142Development of Aldehyde Functionalized Iridium(III) Complexes Photosensitizers with Strong Visible-Light Absorption for Photocatalytic Hydrogen Generation from WaterYao X., Zhang Q., Ho P.Y., Yiu S.C., Suramitr S., Hannongbua S., Ho C.L.2023Inorganics,
    11(3), 110
    6
    143Scalable production of reduced graphene oxide via biowaste valorisation: an efficient oxygen reduction reaction towards metal-free electrocatalysisShah A., Singh H., Prajongtat P., Joshi M.C., Hannongbua S., Chattham N., Kim Y.K., Kumar S., Kumar S., Singh D.P.2022New Journal of Chemistry6
    144Photophysical properties and computational investigation on substituent effects on the structural and electronic properties of 3,6-di(thiophene-2-yl)-carbazole-based derivativesSriyab S., Gleeson M., Hannongbua S., Suramitr S.2016Journal of Molecular Structure,
    1125, pp. 532-539
    6
    145Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulationsKunaseth M., Hannongbua S., Nakano A.2019Computer Physics Communications,
    235, pp. 88-94
    5
    146Biophysical Characterization of Novel DNA Aptamers against K103N/Y181C Double Mutant HIV-1 Reverse TranscriptaseRatanabunyong S., Ratanabunyong S., Seetaha S., Hannongbua S., Yanaka S., Yagi-Utsumi M., Kato K., Paemanee A., Choowongkomon K.2022Molecules,
    27(1), 285
    5
    147Bioisosteric Design Identifies Inhibitors of Mycobacterium tuberculosis DNA Gyrase ATPase ActivityKamsri B., Pakamwong B., Thongdee P., Phusi N., Kamsri P., Punkvang A., Ketrat S., Saparpakorn P., Hannongbua S., Sangswan J., Suttisintong K., Sureram S., Kittakoop P., Kittakoop P., Kittakoop P., Hongmanee P., Santanirand P., Leanpolchareanchai J., Goudar K.E., Spencer J., Mulholland A.J., Pungpo P.2022Journal of Chemical Information and Modeling5
    148Combining Deep Learning and Structural Modeling to Identify Potential Acetylcholinesterase Inhibitors from Hericium erinaceusSutthibutpong T., Posansee K., Liangruksa M., Termsaithong T., Piyayotai S., Phitsuwan P., Saparpakorn P., Hannongbua S., Laomettachit T.2023ACS Omega5
    149Combined Deep Learning and Molecular Modeling Techniques on the Virtual Screening of New mTOR Inhibitors from the Thai Mushroom DatabasePosansee K., Liangruksa M., Termsaithong T., Saparpakorn P., Hannongbua S., Laomettachit T., Sutthibutpong T.2023ACS Omega5
    150Computational design, synthesis and biological evaluation of PDE5 inhibitors based on N2,N4-diaminoquinazoline and N2,N6-diaminopurine scaffoldsSomnarin T., Pobsuk N., Chantakul R., Panklai T., Temkitthawon P., Hannongbua S., Chootip K., Ingkaninan K., Boonyarattanakalin K., Gleeson D., Paul Gleeson M.2022Bioorganic and Medicinal Chemistry,
    76, 117092
    5
    151Enhancing the Stability and Performance of Two-Dimensional Perovskite Solar Cells via Double-Step Homogeneous Precursor MixingWongkanya R., Asamo S., Dechtrirat D., Dechtrirat D., Sudchanham J., Srisamran N., Sriprachuabwong C., Tuantranont A., Chattham N., Hannongbua S., Prajongtat P.2022ACS Applied Energy Materials5
    152Stepwise Access of Emissive Ir(III) Complexes Bearing a Multi-Dentate Heteroaromatic Chelate: Fundamentals and ApplicationsZheng Z., Zhu Z.L., Ho C.L., Yiu S.M., Lee C.S., Suramitr S., Hannongbua S., Chi Y.2021Inorganic Chemistry5
    153Discovery of novel and potent InhA inhibitors by an in silico screening and pharmacokinetic predictionHanwarinroj C., Phusi N., Kamsri B., Kamsri P., Punkvang A., Ketrat S., Saparpakorn P., Hannongbua S., Suttisintong K., Kittakoop P., Kittakoop P., Kittakoop P., Spencer J., Mulholland A.J., Pungpo P.2022Future Medicinal Chemistry,
    14(10), pp. 717-729
    5
    154Photophysical properties and photochemistry of EE -, EZ -, and ZZ -1,4-dimethoxy-2,5-bis[2-(thien-2-yl)ethenyl] benzene in solution: Theory and experimentSuramitr S., Suramitr S., Phalinyot S., Phalinyot S., Wolschann P., Fukuda R., Fukuda R., Ehara M., Ehara M., Hannongbua S., Hannongbua S.2012Journal of Physical Chemistry A,
    116(3), pp. 924-937
    5
    155Structural insights into the interactions of phorbol ester and bryostatin complexed with protein kinase C: a comparative molecular dynamics simulation studyThangsunan P., Tateing S., Hannongbua S., Suree N.2016Journal of Biomolecular Structure and Dynamics,
    34(7), pp. 1561-1575
    5
    156Elucidating the structural basis of diphenyl ether derivatives as highly potent enoyl-ACP reductase inhibitors through molecular dynamics simulations and 3D-QSAR studyKamsri P., Punkvang A., Saparpakorn P., Hannongbua S., Irle S., Pungpo P.2014Journal of Molecular Modeling,
    20(7), 2319
    5
    157Structural and spectroscopic properties of metal complexes with ruhemann’s purple compounds calculated using density functional theoryPromkatkaew M., Boonsri P., Hannongbua S.2019Key Engineering Materials,
    824 KEM, pp. 204-211
    5
    158New racemosol derivatives as potent cyclooxygenase (COX) inhibitorsSongarsa S., Rajviroongit S., Sae-Tang D., Hannongbua S., Kirtikara K., Kittakoop P.2005Chemistry and Biodiversity,
    2(12), pp. 1635-1647
    5
    159Mechanistic insights into the catalytic reaction of plant allene oxide synthase (pAOS) via QM and QM/MM calculationsSomboon T., Ochiai J., Treesuwan W., Gleeson M., Hannongbua S., Hannongbua S., Mori S., Mori S.2014Journal of Molecular Graphics and Modelling,
    52, pp. 20-29
    4
    160In vitro and in silico binding study of the peptide derived from HIV-1 CA-CTD and LysRS as a potential HIV-1 blocking siteNa Nakorn P., Treesuwan W., Choowongkomon K., Hannongbua S., Boonyalai N.2011Journal of Theoretical Biology,
    270(1), pp. 88-97
    4
    161Synthesis, plasmodium falciparum inhibitory activity, cytotoxicity and solubility of n2,n4-disubstituted quinazoline-2,4-diaminesPobsuk N., Suphakun P., Hannongbua S., Nantasenamat C., Choowongkomon K., Paul Gleeson M.2019Medicinal Chemistry,
    15(6), pp. 691-702
    4
    162Dipyridodiazepinone derivatives; synthesis and anti HIV-1 activityKhunnawutmanotham N., Chimnoi N., Thitithanyanont A., Saparpakorn P., Choowongkomon K., Pungpo P., Hannongbua S., Techasakul S., Techasakul S.2009Beilstein Journal of Organic Chemistry,
    5, A36
    4
    163Synthesis, electrochemistry and photo-induced electron transfer of unsymmetrical dinuclear ruthenium osmium 2,2′-bipyridine complexesBoonyavong N., Suwanruji P., Hannongbua S., Li F., Sun L., Karpkird T.2014Journal of Photochemistry and Photobiology A: Chemistry,
    287, pp. 40-48
    4
    164Key role of hydrazine to the interaction between oxaloacetic against phosphoenolpyruvic carboxykinase (PEPCK): ONIOM calculationsPrajongtat P., Phromyothin D., Hannongbua S.2013Journal of Molecular Modeling,
    19(8), pp. 3165-3174
    4
    165Mass spectrometric characterization of HIV-1 reverse transcriptase interactions with non-nucleoside reverse transcriptase inhibitorsThammaporn R., Thammaporn R., Ishii K., Yagi-Utsumi M., Yagi-Utsumi M., Uchiyama S., Uchiyama S., Hannongbua S., Kato K., Kato K.2016Biological and Pharmaceutical Bulletin,
    39(3), pp. 450-454
    4
    166Use of 3D QSAR to investigate the mode of binding of pyrazinones to HIV-1 RTSaparpakorn P., Thammaporn R., Hannongbua S.2009Monatshefte fur Chemie,
    140(6), pp. 587-594
    4
    167A combined theoretical and experimental study of CH3NH3PbI3 Containing AVAI films prepared via an intramolecular exchange processPrajongtat P., Hannongbua S.2018Journal of Physical Chemistry C,
    122(34), pp. 19705-19711
    4
    168Optimisation of stability and charge transferability of ferrocene-encapsulated carbon nanotubesPrajongtat P., Sriyab S., Zentgraf T., Hannongbua S.2018Molecular Physics,
    116(1), pp. 9-18
    4
    169New potent epitopes from Leptospira borgpetersenii for the stimulation of humoral and cell-mediated immune responses: Experimental and theoretical studiesTansiri Y., Tansiri Y., Sritrakul T., Saparpakorn P., Boondamnern T., Chimprasit A., Sripattanakul S., Hannongbua S., Prapong S., Prapong S.2021Informatics in Medicine Unlocked,
    25, 100649
    3
    170Simulations of Shikimate Dehydrogenase from Mycobacterium tuberculosis in Complex with 3-Dehydroshikimate and NADPH Suggest Strategies for MtbSDH InhibitionPunkvang A., Kamsri P., Mulholland A., Spencer J., Hannongbua S., Pungpo P.2019Journal of Chemical Information and Modeling,
    59(4), pp. 1422-1433
    3
    171Systematic investigation on the binding of GW420867X as HIV-1 reverse transcriptase inhibitorSaparpakorn P., Saparpakorn P., Wolschann P., Karpfen A., Pungpo P., Hannongbua S.2011Monatshefte fur Chemie,
    142(9), pp. 961-971
    3
    172Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approachesThangsunan P., Kittiwachana S., Meepowpan P., Kungwan N., Prangkio P., Hannongbua S., Suree N.2016Journal of Computer-Aided Molecular Design,
    30(6), pp. 471-488
    3
    173Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimerKungwan N., Ogata Y., Hannongbua S., Tachikawa M.2014Theoretical Chemistry Accounts,
    133(9), pp. 1-10, 1553
    3
    174Key structural features of azanaphthoquinone annelated pyrrole derivative as anticancer agents based on the rational drug design approachesKamsri P., Punkvang A., Pongprom N., Srisupan A., Saparpakorn P., Hannongbua S., Wolschann P., Pungpo P.2013Molecular Informatics,
    32(5-6), pp. 541-554
    3
    175Theoretical study on the selective fluorescence of PicoGreen: Binding models and photophysical propertiesOkoshi M., Saparpakorn P., Takada Y., Hannongbua S., Nakai H., Nakai H., Nakai H.2014Bulletin of the Chemical Society of Japan,
    87(2), pp. 267-273
    3
    176Key structures and interactions for binding of mycobacterium tuberculosis protein kinase B inhibitors from molecular dynamics simulationPunkvang A., Kamsri P., Saparpakorn P., Hannongbua S., Wolschann P., Irle S., Pungpo P.2015Chemical Biology and Drug Design,
    86(1), pp. 871-881
    2
    177Hopeahainol C monohydrateFun H., Sudto K., Ge H., Tan R., Hannongbua S., Chantrapromma S.2011Acta Crystallographica Section E: Structure Reports Online,
    67(6)
    2
    178Insight into the reaction mechanism of cis,cis-muconate lactonizing enzymes: A DFT QM/MM studySomboon T., Gleeson M., Hannongbua S.2012Journal of Molecular Modeling,
    18(2), pp. 525-531
    2
    179Roles of key residues specific to cyclooxygenase II: An ONIOM studySae-Tang D., Kittakoop P., Hannongbua S.2009Monatshefte fur Chemie,
    140(12), pp. 1533-1541
    2
    180Diptoindonesin D, a potent antibacterial activity against gram-positive bacteria, an inhibitor of penicillin-binding protein 2a from the stem bark of Shorea roxburghii G.DonSudto K., Saparpakorn P., Saparpakorn P., Tancharoen C., Tancharoen C., Phromyothin D., Techasakul S., Khunnawutmanotham N., Vajrodaya S., Ge H.M., Tan R.X., Tan R.X., Hannongbua S.2019Chiang Mai Journal of Science,
    46(6), pp. 1161-1175
    2
    181Photophysical properties of various substituted thiophenebased heterocyclic chalcone: Experimental and DFT studiesSaengsuwan N., Klinhom N., Nakwanich B., Sriyab S., Prompinit P., Suramitr S., Hannongbua S.2019Chiang Mai Journal of Science,
    46(6), pp. 1176-1190
    2
    182Insight investigation of rilpivirine and compounds from mushrooms as feline immunodeficiency virus reverse transcriptase inhibitors using molecular dynamics simulations and quantum chemical calculationsSaparpakorn P., Chimprasit A., Jantarat T., Hannongbua S.2022Molecular Simulation2
    183Insight into free energy and dynamic cross-correlations of residue for binding affinity of antibody and receptor binding domain SARS-CoV-2Chong W.L., Chong W.L., Saparpakorn P., Sangma C., Lee V.S., Hannongbua S.2023Heliyon,
    9(1), e12667
    2
    184Stability improvement of UV-filter between methoxy cinnamic acid derivatives and cyclodextrins inclusion complexes based on DFT and TD-DFT investigationsPromkatkaew M., Boonsri P., Suramitr S., Karpkird T., Wolschann P., Hannongbua S.2023Journal of Molecular Graphics and Modelling,
    125, 108619
    2
    185Signal Propagation in the ATPase Domain of Mycobacterium tuberculosis DNA Gyrase from Dynamical-Nonequilibrium Molecular Dynamics SimulationsKamsri B., Kamsri P., Punkvang A., Chimprasit A., Saparpakorn P., Hannongbua S., Spencer J., Oliveira A.S.F., Mulholland A.J., Pungpo P.2024Biochemistry2
    186Role of carrier delocalization in enhancing the photostability and defect passivation of 2D/3D hybrid metal halide perovskitesAsamo S., Suvandee W., Wongkanya R., Hannongbua S., Chattham N., Sriprachuabwong C., Fengler S., Dittrich T., Prajongtat P.2024Solar Energy,
    284, 113086
    2
    187A DFT-based Analysis of Metals Adsorption on Chitosan MonomerPromkatkaew M., Kitjaruwankul S., Baiya S., Tongwanichniyom S., Boonsri P., Hannongbua S.2022Science Essence Journal,
    38(2), pp. 37-47
    1
    188Comparison of feline and human immunodeficiency virus reverse transcriptase enzymes through chemical screening and computational analysisThammajong P., Aiebchun T., Boonyarattanakalin K., Gleeson D., Pobsuk N., Hannongbua S., Choowongkomon K., Gleeson M.P.2024Chemical Biology and Drug Design,
    103(5), e14530
    1
    189Key interactions of pyrimethamine derivatives specific to wild-type and mutant P. falciparum dihydrofolate reductase based on 3D-QSAR, MD simulations and quantum chemical calculationsSeetin S., Saparpakorn P., Vanichtanankul J., Vitsupakorn D., Yuthavong Y., Kamchonwongpaisan S., Hannongbua S.2022Journal of Biomolecular Structure and Dynamics1
    190In silico multiscale drug design to discover key structural features of potential JAK2 inhibitorsKamsri P., Punkvang A., Taveepanich S., Ketrat S., Saparpakorn P., Hannongbua S., Suttisintong K., Pangjit K., Pungpo P.2022Future medicinal chemistry,
    14(18), pp. 1297-1308
    1
    191Investigation of rt1t49 aptamer binding to human immunodeficiency virus 1 reverse transcriptaseRatanabunyong S., Yagi-Utsumi M., Yanaka S., Kato K., Choowongkomon K., Hannongbua S.2021Journal of Current Science and Technology,
    11(1), pp. 51-59
    1
    192Erratum: Tetrafluorinated phenylpyridine based heteroleptic iridium(iii) complexes for efficient sky blue phosphorescent organic light-emitting diodes (J. Mater. Chem. C (2020) 8 (2551–2557) DOI: 10.1039/C9TC05779J)Chen Z., Chen Z., Suramitr S., Zhu N., Ho C.L., Ho C.L., Hannongbua S., Chen S., Wong W.Y., Wong W.Y., Wong W.Y.2020Journal of Materials Chemistry C,
    8(21), pp. 7256
    1
    193Encapsulation of ferrocene in carbon nanotubes using low-temperature solution processing: influence of surface environment, diameter, and lengthSriyab S., Suramitr S., Hannongbua S., Prajongtat P.2018Monatshefte fur Chemie,
    149(11), pp. 1963-1969
    1
    1941H NMR chemical shifts of some DMSO-solvated amines using MD-ONIOM2Vailikhit V., Holzschuh W., Hannongbua S.2010Journal of Molecular Structure: THEOCHEM,
    944(1-3), pp. 173-176
    1
    195JSPS Asian Core Program: Cutting-edge organic chemistry in Asia (phase II), 14th Asian Chemical Congress, and IUPAC Joint Workshop: Strategic planning for a new east and southeast Asian network for organic chemistryIsobe M., Wong H., Shing T., Huang P., Kanokmedhakul S., Hannongbua S., Chittchang M., Nishida A.2012Chemistry - An Asian Journal,
    7(7), pp. 1468-1471
    1
    196Molecular dynamics simulations of azanaphthoquinone annelated pyrrole derivatives as anticancer agent in DNA duplexPunkvang A., Pungpo P., Kamsri P., Kasamsri D., Srisupan A., Saparpakorn P., Hannongbua S., Wolschann P., Prueksaaroon S., Pongprom N.2013International Journal of Quantum Chemistry,
    113(4), pp. 555-562
    1
    197Quantitative Structure-Activity Relationship (QSAR) Methods for the Prediction of Substrates, Inhibitors, and Inducers of Metabolic EnzymesPhuangsawai O., Hannongbua S., Gleeson M.2014Drug Metabolism Prediction,
    pp. 319-350
    1
    198Theoretical study of the electronic structure and properties of alternating donor-acceptor couples of carbazole-based compounds for advanced organic light-emitting diodes (Oled)Makjan S., Promkatkaew M., Hannongbua S., Boonsri P.2019Key Engineering Materials,
    824 KEM, pp. 236-244
    1
    199Molecular dynamics study on the unbinding of HBY 097 in the K103N mutant RTLawtrakul L., Hannongbua S.2007Monatshefte fur Chemie,
    138(10), pp. 1029-1034
    1
    200Editorial [Hot topic: Anti-viral agents and emerging disease: Part - 1]Hannongbua S.2007Current Computer-Aided Drug Design,
    3(2), pp. 85-86
    0
    201Elucidation of hydroxyl groups-antioxidant relationship in mono- and dihydroxyflavones based on O-H bond dissociation enthalpiesTreesuwan W., Suramitr S., Hannongbua S.2015Journal of Molecular Modeling,
    21(6), 137
    0
    202Electronic structure and optical properties of conjugated molecules: SAC-CI studyEhara M., Ehara M., Saha B., Poolmee P., Promkatkaew M., Hannongbua S., Lu Y.P., Nakatsuji H., Nakatsuji H.2012AIP Conference Proceedings,
    1504, pp. 279-290
    0
    203Electronic structure and optical properties of conjugated molecules: SAC-CI studyEhara M., Ehara M., Lu Y., Promkatkaew M., Hannongbua S.2012AIP Conference Proceedings,
    1504, pp. 848-851
    0
    204Elucidating the action mode of the bi-substrate inhainhibitors as anti-tuberculosis agents through molecular dynamics simulationsPunkvang A., Kamsri P., Kasamsri D., Srisupan A., Saparpakorn P., Hannongbua S., Wolschann P., Prueksaaroon S., Pungpo P.2012Tuberculosis: Risk Factors, Drug Resistance and Treatment,
    pp. 169-180
    0
    205PrefaceHannongbua S., Grudpan K.2012Pure and Applied Chemistry,
    84(10), pp. 4
    0
    206Structural and electronic properties of poly(fluorene-pyrrole) copolymer: Time dependent density functional theory investigationChidthong R., Maitarat P., Hannongbua S.2010INEC 2010 - 2010 3rd International Nanoelectronics Conference, Proceedings,
    pp. 600-601, 5424758
    0
    207Torsional flexibility of undecorated catechol diether compound as potent NNRTI targeting HIV-1 reverse transcriptaseSomboon T., Saparpakorn P., Hannongbua S.2019Journal of Molecular Graphics and Modelling,
    86, pp. 286-297
    0
    208Predicting inhibition constants of antimalarial drug compounds using support vector regressionKhamsemanan N., Nattee C., Lawtrakul L., Toochinda P., Hannongbua S.2018Journal of Nonlinear and Convex Analysis,
    19(9), pp. 1555-1562
    0
    209Predicting the binding affinity of p38 map kinase inhibitors using free energy calculationsBoonyarat W., Saparpakorn P., Hannongbua S.2019Chiang Mai Journal of Science,
    46(1), pp. 93-105
    0
    2102D-QSAR and CoMFA Models for Antitubercular Activity of Scalarane-Type SesterterpenesThengyai S., Guo Y., Suwanborirux K., Berner H., Spreitzer H., Wolschann P., Hannongbua S., Plubrukarn A.2022Scientia Pharmaceutica,
    90(3), 47
    0
    211Elucidation of benzene sulfonamide derivative binding at a novel interprotomer pocket of wild type and mutants of coxsackievirus B3 viral capsid using molecular dynamics simulations and density functional theoryPrapassornwattana P., Hannongbua S., Saparpakorn P.2023Biophysical Chemistry,
    302, 107109
    0
    212Biophysical Characterization of p51 and p66 Monomers of HIV-1 Reverse Transcriptase with Their InhibitorsSeetaha S., Kamonsutthipaijit N., Yagi-Utsumi M., Yagi-Utsumi M., Yagi-Utsumi M., Seako Y., Seako Y., Seako Y., Yamaguchi T., Yamaguchi T., Hannongbua S., Kato K., Kato K., Kato K., Choowongkomon K.2023Protein Journal0
    213Eco-Friendly and Efficient Semi-Natural Encapsulants Prepared via In Situ Cross-Linking within the Porous Carbon Electrodes of Carbon-Based Perovskite Solar CellsWongkanya R., Asamo S., Suvandee W., Dechtrirat D., Dechtrirat D., Vijitphan P., Makarasen A., Chattham N., Sangthong W., Hannongbua S., Prajongtat P.2025ACS Applied Polymer Materials,
    7(6), pp. 3647-3656
    0
    214Role of interaction mode of phenanthrene derivatives as selective PDE5 inhibitors using molecular dynamics simulations and quantum chemical calculationsSainimnuan S., Chimprasit A., Hannongbua S., Saparpakorn P.2024Molecular Diversity,
    111527
    0