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


    เคมีเชิงฟิสิกส์ เคมีคอมพิวเตอร์ Physical Chemistry, Computational Chemistry

    Administrative Profile


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

    งานวิจัยในรอบ 5 ปี


    • ทุนใน 23 โครงการ (หัวหน้าโครงการ 2 โครงการ, ที่ปรึกษาโครงการ 10 โครงการ, ผู้ร่วมวิจัย 11 โครงการ)
    • ทุนนอก 1 โครงการ (ผู้ร่วมวิจัย 1 โครงการ)
    • ทุนใน 18 โครงการ (ที่ปรึกษาโครงการ 11 โครงการ, ผู้ร่วมวิจัย 7 โครงการ)
    • ทุนนอก 29 โครงการ (หัวหน้าโครงการ 17 โครงการ, ที่ปรึกษาโครงการ 6 โครงการ, ผู้ร่วมวิจัย 5 โครงการ, อื่นๆ 1 โครงการ)

    แนวโน้มผลงานทั้งหมดเทียบกับแนวโน้มผลงานในรอบ 5 ปี


    • บทความ 282 เรื่อง (ตีพิมพ์ในวารสารวิชาการ 157 เรื่อง, นำเสนอในการประชุม/สัมมนา 125 เรื่อง)



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



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

    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
    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
    33D-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
    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
    5The 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
    6A 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
    7Investigating 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
    8Binding 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
    9Comparative 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
    10Three-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
    11Chaetoglobins 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
    12Quantitative 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
    13Structure-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
    14SAC-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
    15Complete 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
    16Defining the membrane disruption mechanism of kalata B1 via coarse-grained molecular dynamics simulationsNawae W., Hannongbua S., Ruengjitchatchawalya M.2014Scientific Reports
    17An 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
    18Absorption 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
    19Bridge 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
    20Active 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
    21Conformational 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
    22Binding 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
    23Investigation 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
    24Particular 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
    25Photophysical 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
    26Conformational 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
    27Elucidating 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
    28Virtual 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
    29Smart 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
    30Hologram 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
    31Density 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
    32Interactions 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
    333D 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
    34Understanding 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
    35Molecular 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
    36ONIOM-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
    37Catalytic 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
    38A 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
    39Absorption 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
    40Oligostilbenoids 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
    41In 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
    42Excited 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
    43Molecular 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
    44Skin 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
    45Simple 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
    46Bridged 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
    47A 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
    48Effects 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
    49Structures, 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
    50Electronic 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
    51Accessible 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
    52Anti-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
    53Dynamics 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
    54Insight 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
    55Particular 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
    56Theoretical 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
    57A 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
    58NMR 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
    59Application 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
    60Conformational 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
    61Structural 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
    62Inhibitory 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
    63Evaluation 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
    64Insight into HIV-1 reverse transcriptase - Aptamer interaction from molecular dynamics simulationsAeksiri N., Songtawee N., Gleeson M., Hannongbua S., Choowongkomon K.2014Journal of Molecular Modeling
    65Enhancement 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
    66The effect of edges and shapes on band gap energy in graphene quantum dotsKittiratanawasin L., Hannongbua S.2016Integrated Ferroelectrics
    175(1),pp. 211-219
    67Chevalone 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
    68Key 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
    69Photophysical 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
    70QM/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
    71Theoretical 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
    72Theoretical 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
    73Excited 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
    74Insight 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
    75Mechanistic 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
    76Quantitative 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
    77Molecular 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
    78Investigation 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
    79Quantitative 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
    80Elucidating 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
    81A 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
    82Elucidating 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
    83QM 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
    84Recent 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
    85Study 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
    86Divide-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
    87Structural information and computational methods used in design of neuraminidase inhibitorsSangma C., Hannongbua S.2007Current Computer-Aided Drug Design
    3(2),pp. 113-132
    88Novel 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
    89Ranking 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
    90Characteristic 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
    91Anti-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
    92Aggregation-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
    93Systematic 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
    94Effects 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
    95Dynamic scenario of membrane binding process of Kalata B1Nawae W., Hannongbua S., Ruengjitchatchawalya M.2014PLoS ONE
    96Bis(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
    97Substrate 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
    98CoMFA 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
    99Investigation 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
    100Exploring 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
    101Terezine 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
    102Photophysical 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
    103Photophysical 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
    104Molecular 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
    105Probing 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
    106Effects 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
    107Subcritical 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
    108Synthesis 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
    109Design, 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
    110In 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
    111Use 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
    112Mass 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
    113QM/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
    114Structural 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
    115Photophysical 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
    116Elucidating 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
    117QM/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
    118Use 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
    119Moisture-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
    120Theoretical study of the arabinan hydrolysis by an inverting GH43 arabinanaseJitonnom J., Hannongbua S.2018Molecular Simulation
    44(8),pp. 631-637
    121A 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
    122Shift/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
    123Systematic 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
    124Synthesis, 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
    125Molecular 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
    126Nuclear 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
    127Mechanistic 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
    128New 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
    129Dipyridodiazepinone 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
    130Rapid 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
    131Optimisation of stability and charge transferability of ferrocene-encapsulated carbon nanotubesPrajongtat P., Sriyab S., Zentgraf T., Hannongbua S.2018Molecular Physics
    116(1),pp. 9-18
    132Simulation 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
    133Key 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
    134Key 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
    135Theoretical 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
    136Insight 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
    137Roles of key residues specific to cyclooxygenase II: An ONIOM studySae-Tang D., Kittakoop P., Hannongbua S.2009Monatshefte fur Chemie
    140(12),pp. 1533-1541
    1381H 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
    139JSPS 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
    140Molecular 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
    141Hopeahainol C monohydrateFun H., Sudto K., Ge H., Tan R., Hannongbua S., Chantrapromma S.2011Acta Crystallographica Section E: Structure Reports Online
    142Quantitative 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
    143Key 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
    144Elucidation 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
    145Synthesis, 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
    146Discovery 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
    147Structural 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
    148Molecular dynamics study on the unbinding of HBY 097 in the K103N mutant RTLawtrakul L., Hannongbua S.2007Monatshefte fur Chemie
    138(10),pp. 1029-1034
    149A 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
    150Encapsulation 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
    151Diptoindonesin 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
    152Photophysical 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
    153Characterization of New DNA Aptamers for Anti-HIV-1 Reverse TranscriptaseRatanabunyong S., Aeksiri N., Yanaka S., Yagi-Utsumi M., Kato K., Choowongkomon K., Hannongbua S.2020ChemBioChem
    154Investigation 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
    155Active 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 Dynamics
    156Torsional 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
    157Predicting 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
    158Simulations 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
    159Predicting 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
    160Editorial [Hot topic: Anti-viral agents and emerging disease: Part - 1]Hannongbua S.2007Current Computer-Aided Drug Design
    3(2),pp. 85-86
    161Theoretical 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
    162Elucidation 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
    163Electronic 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
    164Electronic 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
    165Novel 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 Design
    166Elucidating 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
    167PrefaceHannongbua S., Grudpan K.2012Pure and Applied Chemistry
    84(10),pp. 4
    168Structural 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