| # | Document title | Authors | Year | Source | Cited by |
| 1 | In-silico ADME models: A general assessment of their utility in drug discovery applications | Gleeson M., Hersey A., Hannongbua S. | 2011 | Current Topics in Medicinal Chemistry
11(4),pp. 358-381 | 148 |
| 2 | Competitive inhibition of the dengue virus NS3 serine protease by synthetic peptides representing polyprotein cleavage sites | Chanprapaph S., Saparpakorn P., Sangma C., Niyomrattanakit P., Hannongbua S., Angsuthanasombat C., Katzenmeier G. | 2005 | Biochemical and Biophysical Research Communications
330(4),pp. 1237-1246 | 84 |
| 3 | The challenges involved in modeling toxicity data in silico: A review | Gleeson M., Modi S., Bender A., Marchese Robinson R., Kirchmair J., Promkatkaew M., Hannongbua S., Glen R. | 2012 | Current Pharmaceutical Design
18(9),pp. 1266-1291 | 78 |
| 4 | Theoretical investigation on nevirapine and HIV-1 reverse transcriptase binding site interaction, based on ONIOM method | Kuno M., Hannongbua S., Morokuma K. | 2003 | Chemical Physics Letters
380(3-4),pp. 456-463 | 68 |
| 5 | 3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations | Hannongbua S., Nivesanond K., Lawtrakul L., Pungpo P., Wolschann P. | 2001 | Journal of Chemical Information and Computer Sciences
41(3),pp. 848-855 | 67 |
| 6 | An electrochemical MIP sensor for selective detection of salbutamol based on a graphene/PEDOT:PSS modified screen printed carbon electrode | Dechtrirat D., Sookcharoenpinyo B., Prajongtat P., Sriprachuabwong C., Sriprachuabwong C., Sanguankiat A., Tuantranont A., Hannongbua S. | 2018 | RSC Advances
8(1),pp. 206-212 | 53 |
| 7 | A detailed binding free energy study of 2: 1 ligand-DNA complex formation by experiment and simulation | Treesuwan W., Wittayanarakul K., Anthony N.G., Huchet G., Alniss H., Hannongbua S., Khalaf A.I., Suckling C.J., Parkinson J.A., MacKay S.P. | 2009 | Physical Chemistry Chemical Physics
11(45),pp. 10682-10693 | 51 |
| 8 | Investigating the structural basis of arylamides to improve potency against M. tuberculosis strain through molecular dynamics simulations | Punkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Beyer A., Pungpo P. | 2010 | European Journal of Medicinal Chemistry
45(12),pp. 5585-5593 | 50 |
| 9 | Binding energy analysis for wild-type and Y181C mutant HIV-1 RT/8-Cl TIBO complex structures: Quantum chemical calculations based on the ONIOM method | Saen-Oon S., Saen-Oon S., Saen-Oon S., Kuno H., Kuno H., Hannongbua S. | 2005 | Proteins: Structure, Function and Genetics
61(4),pp. 859-869 | 49 |
| 10 | Chaetoglobins A and B, two unusual alkaloids from endophytic Chaetomium globosum culture | Ming Ge H., Yun Zhang W., Ding G., Saparpakorn P., Chun Song Y., Hannongbua S., Xiang Tan R. | 2008 | Chemical Communications
(45),pp. 5978-5980 | 47 |
| 11 | Complete reaction mechanisms of mercury oxidation on halogenated activated carbon | Rungnim C., Promarak V., Hannongbua S., Kungwan N., Namuangruk S. | 2016 | Journal of Hazardous Materials
310,pp. 253-260 | 47 |
| 12 | Smart Design on the Cyclometalated Ligands of Iridium(III) Complexes for Facile Tuning of Phosphorescence Color Spanning from Deep-Blue to Near-Infrared | Chen Z., Wang L., Ho C.L., Chen S., Suramitr S., Plucksacholatarn A., Zhu N., Hannongbua S., Wong W.Y., Wong W.Y. | 2018 | Advanced Optical Materials
6(23) | 45 |
| 13 | Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO2 surface for dye-sensitized solar cell applications | Prajongtat P., Suramitr S., Nokbin S., Nakajima K., Mitsuke K., Hannongbua S. | 2017 | Journal of Molecular Graphics and Modelling
76,pp. 551-561 | 42 |
| 14 | Comparative molecular field analysis of HIV-1 reverse transcriptase inhibitors in the class of 1[2-hyddroxyethoxy)-methyl]-6(phenylthio)thymine | Hannongbua S., Hannongbua S., Lawtrakul L., Sotriffer C., Rode B. | 1996 | Quantitative Structure-Activity Relationships
15(5),pp. 389-394 | 42 |
| 15 | Three-dimensional quantitative structure-activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysis | Pungpo P., Hannongbua S. | 2000 | Journal of Molecular Graphics and Modelling
18(6) | 41 |
| 16 | Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors | Hannongbua S., Pungpo P., Limtrakul J., Wolschann P. | 1999 | Journal of Computer-Aided Molecular Design
13(6),pp. 563-577 | 39 |
| 17 | SAC-CI theoretical investigation on electronic structure of fluorene-thiophene oligomers | Poolmee P., Ehara M., Hannongbua S., Nakatsuji H., Nakatsuji H. | 2005 | Polymer
46(17),pp. 6474-6481 | 33 |
| 18 | Defining the membrane disruption mechanism of kalata B1 via coarse-grained molecular dynamics simulations | Nawae W., Hannongbua S., Ruengjitchatchawalya M. | 2014 | Scientific Reports
4 | 33 |
| 19 | Binding of huperzine A and galanthamine to acetylcholinesterase, based on ONIOM method | Kitisripanya N., Kitisripanya N., Saparpakorn P., Wolschann P., Hannongbua S. | 2011 | Nanomedicine: Nanotechnology, Biology, and Medicine
7(1),pp. 60-68 | 32 |
| 20 | Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parameters | Hannongbua S., Lawtrakul L., Limtrakul J. | 1996 | Journal of Computer-Aided Molecular Design
10(2),pp. 145-152 | 32 |
| 21 | Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography | Kamsri 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. | 2020 | Journal of Chemical Information and Modeling
60(1),pp. 226-234 | 32 |
| 22 | Molecular dynamics of interactions between rigid and flexible antifolates and dihydrofolate reductase from pyrimethamine-sensitive and pyrimethamine-resistant plasmodium falciparum | Mokmak W., Chunsrivirot S., Chunsrivirot S., Hannongbua S., Yuthavong Y., Tongsima S., Kamchonwongpaisan S. | 2014 | Chemical Biology and Drug Design
84(4),pp. 450-461 | 30 |
| 23 | The effect of edges and shapes on band gap energy in graphene quantum dots | Kittiratanawasin L., Hannongbua S. | 2016 | Integrated Ferroelectrics
175(1),pp. 211-219 | 29 |
| 24 | Anti-HIV-1 reverse transcriptase activities of hexane extracts from some asian medicinal plants | Silprasit K., Seetaha S., Pongsanaraku P., Hannongbua S., Choowongkomon K. | 2011 | Journal of Medicinal Plant Research
5(19),pp. 4899-4906 | 29 |
| 25 | Photophysical properties and photochemistry of substituted cinnamates and cinnamic acids for UVB blocking: Effect of hydroxy, nitro, and fluoro substitutions at ortho, meta, and para positions | Promkatkaew M., Promkatkaew M., Suramitr S., Karpkird T., Wanichwecharungruang S., Ehara M., Ehara M., Hannongbua S. | 2014 | Photochemical and Photobiological Sciences
13(3),pp. 583-594 | 28 |
| 26 | Investigation on the binding of polycyclic aromatic hydrocarbons with soil organic matter: A theoretical approach | Saparpakorn P., Jae H., Hannongbua S. | 2007 | Molecules
12(4),pp. 703-715 | 28 |
| 27 | Elucidating the origin of the esterase activity of human serum albumin using QM/MM calculations | Phuangsawai O., Hannongbua S., Gleeson M. | 2014 | Journal of Physical Chemistry B
118(41),pp. 11886-11894 | 28 |
| 28 | Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complex | Rungrotmongkol T., Mulholland A., Hannongbua S. | 2007 | Journal of Molecular Graphics and Modelling
26(1),pp. 1-13 | 27 |
| 29 | Absorption and emission spectra of ultraviolet B blocking methoxy substituted cinnamates investigated using the symmetry-adapted cluster configuration interaction method | Promkatkaew M., Suramitr S., Karpkird T., Namuangruk S., Ehara M., Hannongbua S. | 2009 | Journal of Chemical Physics
131(22) | 27 |
| 30 | Bridge water mediates nevirapine binding to wild type and Y181C HIV-1 reverse transcriptase-Evidence from molecular dynamics simulations and MM-PBSA calculations | Treesuwan W., Hannongbua S. | 2009 | Journal of Molecular Graphics and Modelling
27(8),pp. 921-929 | 27 |
| 31 | Photophysical properties for excited-state intramolecular proton transfer (ESIPT) reaction of N-salicylidene-o-aminophenol: Experimental and DFT based approaches | Klinhom N., Saengsuwan N., Sriyab S., Prompinit P., Hannongbua S., Suramitr S. | 2019 | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
206,pp. 359-366 | 26 |
| 32 | Conformational analysis and electronic transition of carbazole-based oligomers as explained by density functional theory | Suramitr S., Hannongbua S., Wolschann P. | 2007 | Journal of Molecular Structure: THEOCHEM
807(1-3),pp. 109-119 | 23 |
| 33 | Particular interaction between efavirenz and the HIV-1 reverse transcriptase binding site as explained by the ONIOM2 method | Nunrium P., Kuno M., Saen-Oon S., Hannongbua S. | 2005 | Chemical Physics Letters
405(1-3),pp. 198-202 | 23 |
| 34 | Oligostilbenoids with acetylcholinesterase inhibitory activity from Dipterocarpus alatus | Chen C.J., Jiang R., Wang G., Jiao R.H., Tancharoen C., Sudto K., Vajarothai S., Hannongbua S., Ge H.M., Tan R.X. | 2014 | Planta Medica
80(17),pp. 1641-1646 | 22 |
| 35 | 3D pharmacophore mapping using 4D QSAR analysis for the cytotoxicity of lamellarins against human hormone-dependent T47D breast cancer cells | Thipnate P., Thipnate P., Liu J., Liu J., Hannongbua S., Hannongbua S., Hopfinger A., Hopfinger A. | 2009 | Journal of Chemical Information and Modeling
49(10),pp. 2312-2322 | 22 |
| 36 | Virtual screening for anti-HIV-1 RT and anti-HIV-1 PR inhibitors from the Thai medicinal plants database: A combined docking with neural networks approach | Sangma C., Chuakheaw D., Jongkon N., Saenbandit K., Nunrium P., Uthayopas P., Hannongbua S. | 2005 | Combinatorial Chemistry and High Throughput Screening
8(5),pp. 417-429 | 21 |
| 37 | Simple and rapid determination of the enzyme kinetics of HIV-1 reverse transcriptase and anti-HIV-1 agents by a fluorescence based method | Silprasit K., Thammaporn R., Tecchasakul S., Hannongbua S., Choowongkomon K. | 2011 | Journal of Virological Methods
171(2),pp. 381-387 | 21 |
| 38 | Moisture-Resistant Electrospun Polymer Membranes for Efficient and Stable Fully Printable Perovskite Solar Cells Prepared in Humid Air | Prajongtat P., Sriprachuabwong C., Wongkanya R., Dechtrirat D., Sudchanham J., Srisamran N., Sangthong W., Chuysinuan P., Tuantranont A., Hannongbua S., Chattham N. | 2019 | ACS Applied Materials and Interfaces
11(31),pp. 27677-27685 | 21 |
| 39 | Structure and Dynamics of SARS Coronavirus Proteinase: The Primary Key to the Designing and Screening for Anti-SARS Drugs | Lee 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. | 2003 | ScienceAsia
29(2),pp. 181-188 | 20 |
| 40 | Absorption and emission properties of various substituted cinnamic acids and cinnamates, based on TDDFT investigation | Promkatkaew M., Suramitr S., Karpkird T., Ehara M., Hannongbua S. | 2013 | International Journal of Quantum Chemistry
113(4),pp. 542-554 | 20 |
| 41 | Interactions between cycloguanil derivatives and wild type and resistance-associated mutant Plasmodium falciparum dihydrofolate reductases | Maitarad P., Maitarad P., Kamchonwongpaisan S., Vanichtanankul J., Vilaivan T., Yuthavong Y., Hannongbua S. | 2009 | Journal of Computer-Aided Molecular Design
23(4),pp. 241-252 | 20 |
| 42 | Understanding on absorption and fluorescence electronic transitions of carbazole-based conducting polymers: TD-DFT approaches | Suramitr S., Meeto W., Wolschann P., Hannongbua S. | 2009 | Theoretical Chemistry Accounts
125(1),pp. 35-44 | 20 |
| 43 | Chevalone C analogues and globoscinic acid derivatives from the fungus Neosartorya spinosa KKU-1NK1 | Rajachan O., Kanokmedhakul K., Sanmanoch W., Boonlue S., Hannongbua S., Saparpakorn P., Kanokmedhakul S. | 2016 | Phytochemistry
132,pp. 68-75 | 20 |
| 44 | Bridged tricyclic sesquiterpenes from the tubercle nudibranch Phyllidia coelestis Bergh | Jaisamut S., Prabpai S., Tancharoen C., Yuenyongsawad S., Hannongbua S., Kongsaeree P., Plubrukarn A. | 2013 | Journal of Natural Products
76(11),pp. 2158-2161 | 19 |
| 45 | In silico screening of epidermal growth factor receptor (EGFR) in the tyrosine kinase domain through a medicinal plant compound database | Sawatdichaikul O., Hannongbua S., Sangma C., Wolschann P., Choowongkomon K. | 2012 | Journal of Molecular Modeling
18(3),pp. 1241-1254 | 19 |
| 46 | ONIOM-BSSE scheme for H⋯π system and applications on HIV-1 reverse transcriptase | Kuno M., Hongkrengkai R., Hannongbua S. | 2006 | Chemical Physics Letters
424(1-3),pp. 172-177 | 19 |
| 47 | Conformational analysis of nevirapine, a non-nucleoside HIV-1 reverse transcriptase inhibitor, based on quantum mechanical calculations | Hannongbua S., Prasithichokekul S., Pungpo P. | 2001 | Journal of Computer-Aided Molecular Design
15(11),pp. 997-1004 | 18 |
| 48 | Hologram quantitative structure-activity relationships investigations of non-nucleoside reverse transcriptase inhibitors | Pungpo P., Pungpo P., Hannongbua S., Wolschann P. | 2003 | Current Medicinal Chemistry
10(17),pp. 1661-1677 | 18 |
| 49 | Catalytic properties of a free hydroxyl on a silica, a zeolite, and modified zeolites: quantum-chemical model calculations | Limtrakul J., Hannongbua S. | 1993 | Journal of Molecular Structure: THEOCHEM
280(1),pp. 139-145 | 18 |
| 50 | Evaluation of the anti-malarial activity and cytotoxicity of 2,4-diamino-pyrimidine-based kinase inhibitors | Phuangsawai 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. | 2016 | European Journal of Medicinal Chemistry
124,pp. 896-905 | 18 |
| 51 | Skin sensitization prediction using quantum chemical calculations: A theoretical model for the SNAr domain | Promkatkaew M., Gleeson D., Hannongbua S., Gleeson M. | 2014 | Chemical Research in Toxicology
27(1),pp. 51-60 | 17 |
| 52 | A combined MD-ONIOM2 approach for 1H NMR chemical shift calculations including a polar solvent | Vailikhit V., Treesuwan W., Hannongbua S. | 2007 | Journal of Molecular Structure: THEOCHEM
806(1-3),pp. 99-104 | 17 |
| 53 | Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigation | Chidthong R., Hannongbua S., Aquino A., Aquino A., Wolschann P., Lischka H. | 2007 | Journal of Computational Chemistry
28(10),pp. 1735-1742 | 17 |
| 54 | Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h2o)1-5 clusters in the gas phase | Kungwan N., Kerdpol K., Daengngern R., Hannongbua S., Barbatti M. | 2014 | Theoretical Chemistry Accounts
133(5),pp. 1-11 | 17 |
| 55 | Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanol | Daengngern R., Kerdpol K., Kungwan N., Hannongbua S., Barbatti M. | 2013 | Journal of Photochemistry and Photobiology A: Chemistry
266,pp. 28-36 | 16 |
| 56 | A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysis | Jitonnom J., Sattayanon C., Kungwan N., Hannongbua S. | 2015 | Journal of Molecular Graphics and Modelling
56,pp. 53-59 | 16 |
| 57 | Theoretical study on the structures and electronic properties of oligo(p-phenylenevinylene) carboxylic acid and its derivatives: Effects of spacer and anchor groups | Suramitr S., Piriyagagoon A., Wolschann P., Hannongbua S. | 2012 | Theoretical Chemistry Accounts
131(4),pp. 1-15 | 16 |
| 58 | Structures, absorption spectra, and electronic properties of polyfluorene and its derivatives: A theoretical study | Sriwichitkamol K., Suramitr S., Poolmee P., Hannongbua S. | 2006 | Journal of Theoretical and Computational Chemistry
5(3),pp. 595-608 | 16 |
| 59 | Molecular mechanics PBSA ligand binding energy and interaction of Efavirenz derivatives with HIV-1 reverse transcriptase | Weinzinger P., Hannongbua S., Wolschann P. | 2005 | Journal of Enzyme Inhibition and Medicinal Chemistry
20(2),pp. 129-134 | 15 |
| 60 | Aggregation-induced emission enhancement (AIEE) of N,N′-Bis(Salicylidene)-p-Phenylenediamine Schiff base: Synthesis, photophysical properties and its DFT studies | Miengmern N., Koonwong A., Sriyab S., Suramitr A., Poo-arporn R., Hannongbua S., Suramitr S. | 2019 | Journal of Luminescence
210,pp. 493-500 | 15 |
| 61 | NMR characterization of HIV-1 reverse transcriptase binding to various non-nucleoside reverse transcriptase inhibitors with different activities | Thammaporn 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. | 2015 | Scientific Reports
5 | 15 |
| 62 | Application of Site-Specific Spin Labeling for NMR Detecting Inhibitor-Induced Conformational Change of HIV-1 Reverse Transcriptase | Seetaha 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. | 2016 | ChemMedChem
11(4),pp. 363-366 | 15 |
| 63 | A study of the binding energies of efavirenz to wild-type and K103N/Y181C HIV-1 reverse transcriptase based on the ONIOM method | Srivab P., Hannongbua S. | 2008 | ChemMedChem
3(5),pp. 803-811 | 15 |
| 64 | Binding interaction of protoberberine alkaloids against acetylcholinesterase (AChE) using molecular dynamics simulations and QM/MM calculations | Honorio P., Sainimnuan S., Hannongbua S., Saparpakorn P. | 2021 | Chemico-Biological Interactions
344 | 15 |
| 65 | QM/MM modeling of the hydrolysis and transfructosylation reactions of fructosyltransferase from Aspergillus japonicas, an enzyme that produces prebiotic fructooligosaccharide | Jitonnom J., Ketudat-Cairns J., Hannongbua S. | 2018 | Journal of Molecular Graphics and Modelling
79,pp. 175-184 | 15 |
| 66 | Tetrafluorinated phenylpyridine based heteroleptic iridium(iii) complexes for efficient sky blue phosphorescent organic light-emitting diodes | 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. | 2020 | Journal of Materials Chemistry C
8(7),pp. 2551-2557 | 14 |
| 67 | Particular interaction between pyrimethamine derivatives and quadruple mutant type dihydrofolate reductase of Plasmodium falciparum: CoMFA and quantum chemical calculations studies | Maitarad P., Saparpakorn P., Hannongbua S., Kamchonwongpaisan S., Tarnchompoo B., Yuthavong Y. | 2009 | Journal of Enzyme Inhibition and Medicinal Chemistry
24(2),pp. 471-479 | 13 |
| 68 | Key interactions of the mutant HIV-1 reverse transcriptase/efavirenz: An evidence obtained from ONIOM method | Boonsri P., Kuno M., Hannongbua S. | 2011 | MedChemComm
2(12),pp. 1181-1187 | 13 |
| 69 | Insight into crucial inhibitor-enzyme interaction of arylamides as novel direct inhibitors of the enoyl ACP reductase (InhA) from Mycobacterium tuberculosis: Computer-aided molecular design | Punkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Berner H., Pungpo P. | 2010 | Monatshefte fur Chemie
141(9),pp. 1029-1041 | 13 |
| 70 | Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanol | Kungwan N., Daengngern R., Piansawan T., Hannongbua S., Barbatti M. | 2013 | Theoretical Chemistry Accounts
132(11),pp. 1-10 | 13 |
| 71 | Electronic properties of alkoxy derivatives of poly(para-phenylenevinylene) , investigated by time-dependent density functional theory calculations | Suramitr S., Kerdcharoen T., Kerdcharoen T., Srikhirin T., Srikhirin T., Hannongbua S. | 2005 | Synthetic Metals
155(1),pp. 27-34 | 13 |
| 72 | Accessible charges in structure-activity relationships. A study on HEPT- based HIV-1 RT inhibitors | Klein C., Lawtrakul L., Hannongbua S., Wolschann P. | 2000 | Scientia Pharmaceutica
68(1),pp. 25-40 | 12 |
| 73 | Insight into HIV-1 reverse transcriptase - Aptamer interaction from molecular dynamics simulations | Aeksiri N., Songtawee N., Gleeson M., Hannongbua S., Choowongkomon K. | 2014 | Journal of Molecular Modeling
20(8) | 12 |
| 74 | Insight 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 studies | Punkvang A., Hannongbua S., Saparpakorn P., Pungpo P. | 2016 | Journal of Biomolecular Structure and Dynamics
34(5),pp. 1079-1091 | 12 |
| 75 | Terezine derivatives from the fungus Phoma herbarum PSU-H256 | Maha A., Rukachaisirikul V., Saithong S., Phongpaichit S., Poonsuwan W., Sakayaroj J., Saparpakorn P., Hannongbua S. | 2016 | Phytochemistry
122,pp. 223-229 | 12 |
| 76 | Elucidating drug-enzyme interactions and their structural basis for improving the affinity and potency of isoniazid and its derivatives based on computer modeling approaches | Punkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Pungpo P. | 2010 | Molecules
15(4),pp. 2791-2813 | 12 |
| 77 | Molecular dynamics exploration of poration and leaking caused by Kalata B1 in HIV-infected cell membrane compared to host and HIV membranes | Nawae W., Hannongbua S., Ruengjitchatchawalya M. | 2017 | Scientific Reports
7(1) | 12 |
| 78 | Photophysical properties of 1-pyrene-based derivatives for nitroaromatic explosives detection: Experimental and theoretical studies | Sriyab S., Jorn-Iat K., Prompinit P., Wolschann P., Hannongbua S., Suramitr S. | 2018 | Journal of Luminescence
203,pp. 492-499 | 11 |
| 79 | Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene-phenylene), based on TD-DFT investigation | Chidthong R., Hannongbua S. | 2010 | Journal of Computational Chemistry
31(7),pp. 1450-1457 | 11 |
| 80 | A novel prediction approach for antimalarial activities of Trimethoprim, Pyrimethamine, and Cycloguanil analogues using extremely randomized trees | Nattee C., Khamsemanan N., Lawtrakul L., Toochinda P., Hannongbua S. | 2017 | Journal of Molecular Graphics and Modelling
71,pp. 13-27 | 11 |
| 81 | Anti-HIV-1 reverse transcriptase activities of hexane extracts from some Asian medicinal plants | Silprasit K., Seetaha S., Pongsanarakul P., Hannongbua S., Choowongkomon K. | 2011 | Journal of Medicinal Plants Research
5(17),pp. 4194-4201 | 11 |
| 82 | Inhibitory effects of 2-substituted-1-naphthol derivatives on cyclooxygenase I and II | Kongkathip B., Sangma C., Kirtikara K., Luangkamin S., Hasitapan K., Jongkon N., Hannongbua S., Kongkathip N. | 2005 | Bioorganic and Medicinal Chemistry
13(6),pp. 2167-2175 | 11 |
| 83 | Conformational study of the HIV-1 reverse transcriptase inhibitor 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) | Lawtrakul L., Hannongbua S., Beyer A., Wolschann P. | 1999 | Biological Chemistry
380(2),pp. 265-267 | 11 |
| 84 | Quantitative structure-activity relationships of HIV-1 RT inhibitors in the class of 1-[(2-hydroxyethoxy)methyl]-5,6-substituted thymine [HEPT] analogues | Lawtrakul L., Hannongbua S. | 1999 | Scientia Pharmaceutica
67(1),pp. 43-56 | 10 |
| 85 | Structural 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 Study | Saen-Oon S., Hannongbua S., Wolschann P. | 2003 | Journal of Chemical Information and Computer Sciences
43(5),pp. 1412-1422 | 10 |
| 86 | Synthesis and evaluation of the NSCLC anti-cancer activity and physical properties of 4-aryl-N-phenylpyrimidin-2-amines | Toviwek B., Suphakun P., Choowongkomon K., Hannongbua S., Gleeson M., Gleeson M. | 2017 | Bioorganic and Medicinal Chemistry Letters
27(20),pp. 4749-4754 | 10 |
| 87 | Enhancement of the solubility, thermal stability, and electronic properties of carbon nanotubes functionalized with MEH-PPV: A combined experimental and computational study | Prajongtat P., Suramitr S., Gleeson M., Mitsuke K., Mitsuke K., Mitsuke K., Hannongbua S. | 2013 | Monatshefte fur Chemie
144(7),pp. 925-935 | 10 |
| 88 | Theoretical investigation on the electronic and optical properties of poly(fluorenevinylene) derivatives as light-emitting materials | Kungwan N., Yakhanthip T., Jitonnom J., Anuragudom P., Jungsuttiwong S., Hannongbua S. | 2011 | International Journal of Photoenergy
2011 | 10 |
| 89 | A fungal metabolite zearalenone as a CFTR inhibitor and potential therapy of secretory diarrheas | Muangnil P., Satitsri S., Tadpetch K., Saparpakorn P., Chatsudthipong V., Hannongbua S., Rukachaisirikul V., Muanprasat C. | 2018 | Biochemical Pharmacology
150,pp. 293-304 | 10 |
| 90 | Identification of Potent DNA Gyrase Inhibitors Active against Mycobacterium tuberculosis | Pakamwong 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. | 2021 | Journal of Chemical Information and Modeling
| 10 |
| 91 | Surface-modified halloysite nanotubes as electrochemical CO2Sensors | Jeamjumnunja K., Cheycharoen O., Phongzitthiganna N., Hannongbua S., Prasittichai C. | 2021 | ACS Applied Nano Materials
| 9 |
| 92 | Adsorption study of lac dyes with chitosan coated on silk fibroin using molecular dynamics simulations | Chimprasit A., Hannongbua S., Saparpakorn P. | 2021 | Journal of Molecular Graphics and Modelling
106 | 9 |
| 93 | Study of the removal of a disperse dye stain from a polyester/elastane blend | Suwanruji P., Chuaybamrung L., Suesat J., Hannongbua S., Taylor J., Phillips D. | 2012 | Coloration Technology
128(2),pp. 103-107 | 9 |
| 94 | QM/MM simulations indicate that Asp185 is the likely catalytic base in the enzymatic reaction of HIV-1 reverse transcriptase | Rungrotmongkol T., Mulholland A., Hannongbua S. | 2014 | MedChemComm
5(5),pp. 593-596 | 9 |
| 95 | Bis(phenothiazyl-ethynylene)-Based Organic Dyes Containing Di-Anchoring Groups with Efficiency Comparable to N719 for Dye-Sensitized Solar Cells | Siu 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. | 2017 | Chemistry - An Asian Journal
12(3),pp. 332-340 | 9 |
| 96 | Elucidating 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 study | Kamsri P., Punkvang A., Hannongbua S., Saparpakorn P., Pungpo P. | 2015 | RSC Advances
5(65),pp. 52926-52937 | 9 |
| 97 | Design, synthesis and evaluation of N 2 ,N 4 -diaminoquinazoline based inhibitors of phosphodiesterase type 5 | Pobsuk N., Paracha T., Chaichamnong N., Salaloy N., Suphakun P., Hannongbua S., Choowongkomon K., Pekthong D., Chootip K., Ingkaninan K., Gleeson M. | 2019 | Bioorganic and Medicinal Chemistry Letters
29(2),pp. 267-270 | 9 |
| 98 | Ranking ligand affinity for the DNA minor groove by experiment and simulation | Wittayanarakul K., Anthony N.G., Treesuwan W., Hannongbua S., Alniss H., Khalaf A.I., Suckling C.J., Parkinson J.A., MacKay S.P. | 2010 | ACS Medicinal Chemistry Letters
1(8),pp. 376-380 | 9 |
| 99 | Mechanistic study of HIV-1 reverse transcriptase at the active site based on QM/MM method | Rungrotmongkol T., Hannongbua S., Mulholland A. | 2004 | Journal of Theoretical and Computational Chemistry
3(4),pp. 491-500 | 9 |
| 100 | Investigation on an Orientation and Interaction Energy of the Water Molecule in the HIV-1 Reverse Transcriptase Active Site by Quantum Chemical Calculations | Kuno M., Palangsuntikul R., Hannongbua S. | 2003 | Journal of Chemical Information and Computer Sciences
43(5),pp. 1584-1590 | 9 |
| 101 | Molecular 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. | 1999 | Monatshefte fur Chemie
130(11),pp. 1347-1363 | 8 |
| 102 | Quantitative Structural Rearrangement of HIV-1 reverse transcriptase on binding to non-nucleoside inhibitors | Lawtrakul L., Beyer A., Hannongbua S., Wolschann P. | 2004 | Monatshefte fur Chemie
135(8),pp. 1033-1046 | 8 |
| 103 | Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: Density functional and ONIOM study and principal component analysis | Treesuwan W., Hirao H., Hirao H., Morokuma K., Hannongbua S. | 2012 | Journal of Molecular Modeling
18(5),pp. 2227-2240 | 8 |
| 104 | Dynamic scenario of membrane binding process of Kalata B1 | Nawae W., Hannongbua S., Ruengjitchatchawalya M. | 2014 | PLoS ONE
9(12) | 8 |
| 105 | Subcritical Water Extraction of Resveratrol from Barks of Shorea Roxburghii G. Don | Chainukool S., Goto M., Hannongbua S., Shotipruk A. | 2014 | Separation Science and Technology (Philadelphia)
49(13),pp. 2073-2078 | 8 |
| 106 | Divide-and-conquer-based quantum chemical study for interaction between HIV-1 reverse transcriptase and MK-4965 inhibitor | Saparpakorn P., Saparpakorn P., Kobayashi M., Kobayashi M., Hannongbua S., Nakai H., Nakai H. | 2013 | International Journal of Quantum Chemistry
113(4),pp. 510-517 | 8 |
| 107 | Simulation Study of Interactions Between Two Bioactive Components from Zingiber cassumunar and 5-Lipoxygenase | Jitapunkul K., Poachanukoon O., Hannongbua S., Toochinda P., Lawtrakul L. | 2018 | Cellular and Molecular Bioengineering
11(1),pp. 77-89 | 8 |
| 108 | Active site dynamics and catalytic mechanism in arabinan hydrolysis catalyzed by GH43 endo-arabinanase from QM/MM molecular dynamics simulation and potential energy surface | Meelua W., Wanjai T., Thinkumrob N., Oláh J., Mujika J.I., Ketudat-Cairns J.R., Hannongbua S., Jitonnom J. | 2021 | Journal of Biomolecular Structure and Dynamics
| 8 |
| 109 | Spectroscopy and a theoretical study of colorimetric sensing of fluoride ions by salicylidene based Schiff base derivatives | Nakwanich B., Koonwong A., Suramitr A., Prompinit P., Poo-arporn R.P., Hannongbua S., Suramitr S. | 2021 | Journal of Molecular Structure
1245 | 7 |
| 110 | Molecular docking and NMR binding studies to identify novel inhibitors of human phosphomevalonate kinase | Boonsri P., Boonsri P., Neumann T., Olson A., Cai S., Herdendorf T., Miziorko H., Hannongbua S., Sem D. | 2013 | Biochemical and Biophysical Research Communications
430(1),pp. 313-319 | 7 |
| 111 | Effects of reactive red 239 on developing zebrafish (Danio rerio) embryos | Jungtanasombut W., Preeprem P., Kovitvadhi S., Kovitvadhi U., Hannongbua S. | 2014 | Kasetsart Journal - Natural Science
48(4),pp. 619-628 | 7 |
| 112 | Exploring the molecular basis for selective cytotoxicity of lamellarins against human hormone-dependent T47D and hormone-independent MDA-MB-231 breast cancer cells | Thipnate P., Chittchang M., Thasana N., Saparpakorn P., Ploypradith P., Hannongbua S. | 2011 | Monatshefte fur Chemie
142(1),pp. 97-109 | 7 |
| 113 | QM methods in structure based design: Utility in probing protein-ligand interactions | Gleeson M., Hannongbua S., Gleeson D. | 2010 | Journal of Molecular Graphics and Modelling
29(4),pp. 507-517 | 7 |
| 114 | Probing the structural requirements for antitubercular activity of scalarane derivatives using 2D-QSAR and CoMFA approaches | Thengyai S., Maitarat P., Hannongbua S., Suwanborirux K., Plubrukarn A., Plubrukarn A. | 2010 | Monatshefte fur Chemie
141(6),pp. 621-629 | 7 |
| 115 | Recent advances in NNRTI design: Computer-aided molecular design approaches | Pungpo P., Punkvang A., Saparpakorn P., Wolschann P., Hannongbua S. | 2009 | Current Computer-Aided Drug Design
5(3),pp. 174-199 | 7 |
| 116 | Substrate induced structural and dynamics changes in human phosphomevalonate kinase and implications for mechanism | Olson A.L., Yao H., Herdendorf T.J., Miziorko H.M., Hannongbua S., Saparpakorn P., Cai S., Sem D.S. | 2009 | Proteins: Structure, Function and Bioinformatics
75(1),pp. 127-138 | 7 |
| 117 | CoMFA and CoMSIA studies on a new series of xanthone derivatives against the oral human epidermoid carcinoma (KB) cancer cell line | Suphavanich K., Maitarad P., Hannongbua S., Sudta P., Suksamrarn S., Tantirungrotechai Y., Limtrakul J. | 2009 | Monatshefte fur Chemie
140(3),pp. 273-280 | 7 |
| 118 | Elucidation of vasodilation response and structure activity relationships of N2,N4-disubstituted quinazoline 2,4-diamines in a rat pulmonary artery model | Paracha T., Pobsuk N., Salaloy N., Suphakun P., Pekthong D., Hannongbua S., Choowongkomon K., Khorana N., Temkitthawon P., Ingkaninan K., Gleeson M., Chootip K. | 2019 | Molecules
24(2) | 7 |
| 119 | Novel 2-chloro-8-arylthiomethyldipyridodiazepinone derivatives with activity against HIV-1 reverse transcriptase | Khunnawutmanotham N., Chimnoi N., Saparpakorn P., Pungpo P., Louisirirotchanakul S., Hannongbua S., Techasakul S., Techasakul S. | 2007 | Molecules
12(2),pp. 218-230 | 7 |
| 120 | Structural information and computational methods used in design of neuraminidase inhibitors | Sangma C., Hannongbua S. | 2007 | Current Computer-Aided Drug Design
3(2),pp. 113-132 | 7 |
| 121 | Systematic investigation of non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs) | Beyer A., Lawtrakul L., Hannongbua S., Wolschann P. | 2004 | Monatshefte fur Chemie
135(8),pp. 1047-1059 | 6 |
| 122 | Novel peptides with HIV-1 reverse transcriptase inhibitory activity derived from the fruits of Quercus infectoria | Seetaha S., Hannongbua S., Rattanasrisomporn J., Choowongkomon K. | 2020 | Chemical Biology and Drug Design
| 6 |
| 123 | DFT/TD-DFT investigation on the photoinduced electron transfer of diruthenium and viologen complexes | Promkatkaew M., Suramitr S., Karpkird T., Ehara M., Hannongbua S. | 2020 | Journal of Luminescence
222 | 6 |
| 124 | Effects of the CN and NH2 substitutions on the geometrical and optical properties of model vinylfluorenes, based on DFT calculations | Meeto W., Suramitr S., Lukeš V., Wolschann P., Hannongbua S. | 2010 | Journal of Molecular Structure: THEOCHEM
939(1-3),pp. 75-81 | 6 |
| 125 | Investigation of excited-state properties of fluorene-thiophene oligomers by the SAC-CI theoretical approach | Poolmee P., Hannongbua S. | 2010 | Journal of Computational Chemistry
31(10),pp. 1945-1955 | 6 |
| 126 | In silico and in vitro studies of potential inhibitors against Dengue viral protein NS5 Methyl Transferase from Ginseng and Notoginseng | Jarerattanachat V., Boonarkart C., Hannongbua S., Auewarakul P., Ardkhean R. | 2022 | Journal of Traditional and Complementary Medicine
| 6 |
| 127 | Roles of hybrid donepezil scaffolds as potent human acetylcholinesterase inhibitors using in silico interaction analysis, drug-likeness, and pharmacokinetics prediction | Honorio P., Hannongbua S., Saparpakorn P. | 2022 | Chemico-Biological Interactions
368 | 6 |
| 128 | Development of new thiocyanate-free Ruthenium(II) dyes bearing isoquinoline chromophores for hydrogen production via water splitting | Yao X., Ho P.Y., Yiu S.C., Suramitr S., Li W.B., Ho C.L., Hannongbua S. | 2022 | Dyes and Pigments
205 | 5 |
| 129 | Preparation, biological & cheminformatics-based assessment of N2,N4-diphenylpyrimidine-2,4-diamine as potential Kinase-targeted antimalarials | Toviwek 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. | 2021 | Bioorganic and Medicinal Chemistry
46 | 5 |
| 130 | Theoretical study of the arabinan hydrolysis by an inverting GH43 arabinanase | Jitonnom J., Hannongbua S. | 2018 | Molecular Simulation
44(8),pp. 631-637 | 5 |
| 131 | Photophysical properties and computational investigation on substituent effects on the structural and electronic properties of 3,6-di(thiophene-2-yl)-carbazole-based derivatives | Sriyab S., Gleeson M., Hannongbua S., Suramitr S. | 2016 | Journal of Molecular Structure
1125,pp. 532-539 | 5 |
| 132 | Photophysical properties and photochemistry of EE -, EZ -, and ZZ -1,4-dimethoxy-2,5-bis[2-(thien-2-yl)ethenyl] benzene in solution: Theory and experiment | Suramitr S., Suramitr S., Phalinyot S., Phalinyot S., Wolschann P., Fukuda R., Fukuda R., Ehara M., Ehara M., Hannongbua S., Hannongbua S. | 2012 | Journal of Physical Chemistry A
116(3),pp. 924-937 | 5 |
| 133 | QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase: A catabolic protein isolated from Aspergillus niger | Chotpatiwetchkul W., Jongkon N., Hannongbua S., Gleeson M. | 2016 | Journal of Molecular Graphics and Modelling
68,pp. 29-38 | 5 |
| 134 | Elucidating the structural basis of diphenyl ether derivatives as highly potent enoyl-ACP reductase inhibitors through molecular dynamics simulations and 3D-QSAR study | Kamsri P., Punkvang A., Saparpakorn P., Hannongbua S., Irle S., Pungpo P. | 2014 | Journal of Molecular Modeling
20(7) | 5 |
| 135 | Use 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 Electrophoresis | Aeksiri N., Aeksiri N., Warakulwit C., Hannongbua S., Unajak S., Choowongkomon K. | 2017 | Applied Biochemistry and Biotechnology
182(2),pp. 546-558 | 5 |
| 136 | Mechanistic insights into the catalytic reaction of plant allene oxide synthase (pAOS) via QM and QM/MM calculations | Somboon T., Ochiai J., Treesuwan W., Gleeson M., Hannongbua S., Hannongbua S., Mori S., Mori S. | 2014 | Journal of Molecular Graphics and Modelling
52,pp. 20-29 | 4 |
| 137 | In vitro and in silico binding study of the peptide derived from HIV-1 CA-CTD and LysRS as a potential HIV-1 blocking site | Na Nakorn P., Treesuwan W., Choowongkomon K., Hannongbua S., Boonyalai N. | 2011 | Journal of Theoretical Biology
270(1),pp. 88-97 | 4 |
| 138 | Dipyridodiazepinone derivatives; synthesis and anti HIV-1 activity | Khunnawutmanotham N., Chimnoi N., Thitithanyanont A., Saparpakorn P., Choowongkomon K., Pungpo P., Hannongbua S., Techasakul S., Techasakul S. | 2009 | Beilstein Journal of Organic Chemistry
5 | 4 |
| 139 | New racemosol derivatives as potent cyclooxygenase (COX) inhibitors | Songarsa S., Rajviroongit S., Sae-Tang D., Hannongbua S., Kirtikara K., Kittakoop P. | 2005 | Chemistry and Biodiversity
2(12),pp. 1635-1647 | 4 |
| 140 | Synthesis, electrochemistry and photo-induced electron transfer of unsymmetrical dinuclear ruthenium osmium 2,2′-bipyridine complexes | Boonyavong N., Suwanruji P., Hannongbua S., Li F., Sun L., Karpkird T. | 2014 | Journal of Photochemistry and Photobiology A: Chemistry
287,pp. 40-48 | 4 |
| 141 | Structural insights into the interactions of phorbol ester and bryostatin complexed with protein kinase C: a comparative molecular dynamics simulation study | Thangsunan P., Tateing S., Hannongbua S., Suree N. | 2016 | Journal of Biomolecular Structure and Dynamics
34(7),pp. 1561-1575 | 4 |
| 142 | Mass spectrometric characterization of HIV-1 reverse transcriptase interactions with non-nucleoside reverse transcriptase inhibitors | Thammaporn R., Thammaporn R., Ishii K., Yagi-Utsumi M., Yagi-Utsumi M., Uchiyama S., Uchiyama S., Hannongbua S., Kato K., Kato K. | 2016 | Biological and Pharmaceutical Bulletin
39(3),pp. 450-454 | 4 |
| 143 | Use of 3D QSAR to investigate the mode of binding of pyrazinones to HIV-1 RT | Saparpakorn P., Thammaporn R., Hannongbua S. | 2009 | Monatshefte fur Chemie
140(6),pp. 587-594 | 4 |
| 144 | Optimisation of stability and charge transferability of ferrocene-encapsulated carbon nanotubes | Prajongtat P., Sriyab S., Zentgraf T., Hannongbua S. | 2018 | Molecular Physics
116(1),pp. 9-18 | 4 |
| 145 | Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulations | Kunaseth M., Hannongbua S., Nakano A. | 2019 | Computer Physics Communications
235,pp. 88-94 | 4 |
| 146 | Risk factors and clinical and laboratory findings associated with feline immunodeficiency virus and feline leukemia virus infections in Bangkok, Thailand | Rungsuriyawiboon O., Jarudecha T., Hannongbua S., Choowongkomon K., Boonkaewwan C., Rattanasrisomporn J. | 2022 | Veterinary World
15(7),pp. 1601-1609 | 4 |
| 147 | Virtual Screening Identifies Novel and Potent Inhibitors of Mycobacterium tuberculosis PknB with Antibacterial Activity | Thongdee 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. | 2022 | Journal of Chemical Information and Modeling
| 4 |
| 148 | In silico design of novel quinazoline-based compounds as potential Mycobacterium tuberculosis PknB inhibitors through 2D and 3D-QSAR, molecular dynamics simulations combined with pharmacokinetic predictions | Hanwarinroj 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. | 2022 | Journal of Molecular Graphics and Modelling
115 | 4 |
| 149 | Structural basis for inhibition of a GH116 β-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical study | Meelua W., Thinkumrob N., Saparpakorn P., Pengthaisong S., Hannongbua S., Ketudat Cairns J.R., Jitonnom J. | 2023 | Chemico-Biological Interactions
384 | 4 |
| 150 | Scalable production of reduced graphene oxide via biowaste valorisation: an efficient oxygen reduction reaction towards metal-free electrocatalysis | Shah A., Singh H., Prajongtat P., Joshi M.C., Hannongbua S., Chattham N., Kim Y.K., Kumar S., Kumar S., Singh D.P. | 2022 | New Journal of Chemistry
| 3 |
| 151 | Stepwise Access of Emissive Ir(III) Complexes Bearing a Multi-Dentate Heteroaromatic Chelate: Fundamentals and Applications | Zheng Z., Zhu Z.L., Ho C.L., Yiu S.M., Lee C.S., Suramitr S., Hannongbua S., Chi Y. | 2021 | Inorganic Chemistry
| 3 |
| 152 | New potent epitopes from Leptospira borgpetersenii for the stimulation of humoral and cell-mediated immune responses: Experimental and theoretical studies | Tansiri Y., Tansiri Y., Sritrakul T., Saparpakorn P., Boondamnern T., Chimprasit A., Sripattanakul S., Hannongbua S., Prapong S., Prapong S. | 2021 | Informatics in Medicine Unlocked
25 | 3 |
| 153 | Characterization of New DNA Aptamers for Anti-HIV-1 Reverse Transcriptase | Ratanabunyong S., Aeksiri N., Yanaka S., Yagi-Utsumi M., Kato K., Choowongkomon K., Hannongbua S. | 2020 | ChemBioChem
| 3 |
| 154 | Simulations of Shikimate Dehydrogenase from Mycobacterium tuberculosis in Complex with 3-Dehydroshikimate and NADPH Suggest Strategies for MtbSDH Inhibition | Punkvang A., Kamsri P., Mulholland A., Spencer J., Hannongbua S., Pungpo P. | 2019 | Journal of Chemical Information and Modeling
59(4),pp. 1422-1433 | 3 |
| 155 | Systematic investigation on the binding of GW420867X as HIV-1 reverse transcriptase inhibitor | Saparpakorn P., Saparpakorn P., Wolschann P., Karpfen A., Pungpo P., Hannongbua S. | 2011 | Monatshefte fur Chemie
142(9),pp. 961-971 | 3 |
| 156 | Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimer | Kungwan N., Ogata Y., Hannongbua S., Tachikawa M. | 2014 | Theoretical Chemistry Accounts
133(9),pp. 1-10 | 3 |
| 157 | Theoretical study on the selective fluorescence of PicoGreen: Binding models and photophysical properties | Okoshi M., Saparpakorn P., Takada Y., Hannongbua S., Nakai H., Nakai H., Nakai H. | 2014 | Bulletin of the Chemical Society of Japan
87(2),pp. 267-273 | 3 |
| 158 | Key structural features of azanaphthoquinone annelated pyrrole derivative as anticancer agents based on the rational drug design approaches | Kamsri P., Punkvang A., Pongprom N., Srisupan A., Saparpakorn P., Hannongbua S., Wolschann P., Pungpo P. | 2013 | Molecular Informatics
32(5-6),pp. 541-554 | 3 |
| 159 | Key role of hydrazine to the interaction between oxaloacetic against phosphoenolpyruvic carboxykinase (PEPCK): ONIOM calculations | Prajongtat P., Phromyothin D., Hannongbua S. | 2013 | Journal of Molecular Modeling
19(8),pp. 3165-3174 | 3 |
| 160 | Synthesis, plasmodium falciparum inhibitory activity, cytotoxicity and solubility of n2,n4-disubstituted quinazoline-2,4-diamines | Pobsuk N., Suphakun P., Hannongbua S., Nantasenamat C., Choowongkomon K., Paul Gleeson M. | 2019 | Medicinal Chemistry
15(6),pp. 691-702 | 3 |
| 161 | Structural and spectroscopic properties of metal complexes with ruhemann’s purple compounds calculated using density functional theory | Promkatkaew M., Boonsri P., Hannongbua S. | 2019 | Key Engineering Materials
824 KEM,pp. 204-211 | 2 |
| 162 | Key structures and interactions for binding of mycobacterium tuberculosis protein kinase B inhibitors from molecular dynamics simulation | Punkvang A., Kamsri P., Saparpakorn P., Hannongbua S., Wolschann P., Irle S., Pungpo P. | 2015 | Chemical Biology and Drug Design
86(1),pp. 871-881 | 2 |
| 163 | Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approaches | Thangsunan P., Kittiwachana S., Meepowpan P., Kungwan N., Prangkio P., Hannongbua S., Suree N. | 2016 | Journal of Computer-Aided Molecular Design
30(6),pp. 471-488 | 2 |
| 164 | Insight into the reaction mechanism of cis,cis-muconate lactonizing enzymes: A DFT QM/MM study | Somboon T., Gleeson M., Hannongbua S. | 2012 | Journal of Molecular Modeling
18(2),pp. 525-531 | 2 |
| 165 | Roles of key residues specific to cyclooxygenase II: An ONIOM study | Sae-Tang D., Kittakoop P., Hannongbua S. | 2009 | Monatshefte fur Chemie
140(12),pp. 1533-1541 | 2 |
| 166 | Diptoindonesin D, a potent antibacterial activity against gram-positive bacteria, an inhibitor of penicillin-binding protein 2a from the stem bark of Shorea roxburghii G.Don | Sudto 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. | 2019 | Chiang Mai Journal of Science
46(6),pp. 1161-1175 | 2 |
| 167 | Biophysical Characterization of Novel DNA Aptamers against K103N/Y181C Double Mutant HIV-1 Reverse Transcriptase | Ratanabunyong S., Ratanabunyong S., Seetaha S., Hannongbua S., Yanaka S., Yagi-Utsumi M., Kato K., Paemanee A., Choowongkomon K. | 2022 | Molecules
27(1) | 2 |
| 168 | A combined theoretical and experimental study of CH3NH3PbI3 Containing AVAI films prepared via an intramolecular exchange process | Prajongtat P., Hannongbua S. | 2018 | Journal of Physical Chemistry C
122(34),pp. 19705-19711 | 2 |
| 169 | Computational design, synthesis and biological evaluation of PDE5 inhibitors based on N2,N4-diaminoquinazoline and N2,N6-diaminopurine scaffolds | Somnarin T., Pobsuk N., Chantakul R., Panklai T., Temkitthawon P., Hannongbua S., Chootip K., Ingkaninan K., Boonyarattanakalin K., Gleeson D., Paul Gleeson M. | 2022 | Bioorganic and Medicinal Chemistry
76 | 2 |
| 170 | A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinase | Meelua W., Wanjai T., Thinkumrob N., Oláh J., Cairns J.R.K., Hannongbua S., Ryde U., Jitonnom J. | 2023 | Physical Chemistry Chemical Physics
| 2 |
| 171 | Combined Deep Learning and Molecular Modeling Techniques on the Virtual Screening of New mTOR Inhibitors from the Thai Mushroom Database | Posansee K., Liangruksa M., Termsaithong T., Saparpakorn P., Hannongbua S., Laomettachit T., Sutthibutpong T. | 2023 | ACS Omega
| 1 |
| 172 | Bioisosteric Design Identifies Inhibitors of Mycobacterium tuberculosis DNA Gyrase ATPase Activity | Kamsri 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. | 2022 | Journal of Chemical Information and Modeling
| 1 |
| 173 | Enhancing the Stability and Performance of Two-Dimensional Perovskite Solar Cells via Double-Step Homogeneous Precursor Mixing | Wongkanya R., Asamo S., Dechtrirat D., Dechtrirat D., Sudchanham J., Srisamran N., Sriprachuabwong C., Tuantranont A., Chattham N., Hannongbua S., Prajongtat P. | 2022 | ACS Applied Energy Materials
| 1 |
| 174 | Discovery of novel and potent InhA inhibitors by an in silico screening and pharmacokinetic prediction | Hanwarinroj 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. | 2022 | Future Medicinal Chemistry
14(10),pp. 717-729 | 1 |
| 175 | Key interactions of pyrimethamine derivatives specific to wild-type and mutant P. falciparum dihydrofolate reductase based on 3D-QSAR, MD simulations and quantum chemical calculations | Seetin S., Saparpakorn P., Vanichtanankul J., Vitsupakorn D., Yuthavong Y., Kamchonwongpaisan S., Hannongbua S. | 2022 | Journal of Biomolecular Structure and Dynamics
| 1 |
| 176 | Encapsulation of ferrocene in carbon nanotubes using low-temperature solution processing: influence of surface environment, diameter, and length | Sriyab S., Suramitr S., Hannongbua S., Prajongtat P. | 2018 | Monatshefte fur Chemie
149(11),pp. 1963-1969 | 1 |
| 177 | Insight investigation of rilpivirine and compounds from mushrooms as feline immunodeficiency virus reverse transcriptase inhibitors using molecular dynamics simulations and quantum chemical calculations | Saparpakorn P., Chimprasit A., Jantarat T., Hannongbua S. | 2022 | Molecular Simulation
| 1 |
| 178 | Photophysical properties of various substituted thiophenebased heterocyclic chalcone: Experimental and DFT studies | Saengsuwan N., Klinhom N., Nakwanich B., Sriyab S., Prompinit P., Suramitr S., Hannongbua S. | 2019 | Chiang Mai Journal of Science
46(6),pp. 1176-1190 | 1 |
| 179 | Erratum: 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. | 2020 | Journal of Materials Chemistry C
8(21),pp. 7256 | 1 |
| 180 | 1H NMR chemical shifts of some DMSO-solvated amines using MD-ONIOM2 | Vailikhit V., Holzschuh W., Hannongbua S. | 2010 | Journal of Molecular Structure: THEOCHEM
944(1-3),pp. 173-176 | 1 |
| 181 | JSPS 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 chemistry | Isobe M., Wong H., Shing T., Huang P., Kanokmedhakul S., Hannongbua S., Chittchang M., Nishida A. | 2012 | Chemistry - An Asian Journal
7(7),pp. 1468-1471 | 1 |
| 182 | Hopeahainol C monohydrate | Fun H., Sudto K., Ge H., Tan R., Hannongbua S., Chantrapromma S. | 2011 | Acta Crystallographica Section E: Structure Reports Online
67(6) | 1 |
| 183 | Quantitative Structure-Activity Relationship (QSAR) Methods for the Prediction of Substrates, Inhibitors, and Inducers of Metabolic Enzymes | Phuangsawai O., Hannongbua S., Gleeson M. | 2014 | Drug Metabolism Prediction
,pp. 319-350 | 1 |
| 184 | Molecular dynamics simulations of azanaphthoquinone annelated pyrrole derivatives as anticancer agent in DNA duplex | Punkvang A., Pungpo P., Kamsri P., Kasamsri D., Srisupan A., Saparpakorn P., Hannongbua S., Wolschann P., Prueksaaroon S., Pongprom N. | 2013 | International Journal of Quantum Chemistry
113(4),pp. 555-562 | 1 |
| 185 | Theoretical 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. | 2019 | Key Engineering Materials
824 KEM,pp. 236-244 | 1 |
| 186 | Molecular dynamics study on the unbinding of HBY 097 in the K103N mutant RT | Lawtrakul L., Hannongbua S. | 2007 | Monatshefte fur Chemie
138(10),pp. 1029-1034 | 1 |
| 187 | Editorial [Hot topic: Anti-viral agents and emerging disease: Part - 1] | Hannongbua S. | 2007 | Current Computer-Aided Drug Design
3(2),pp. 85-86 | 0 |
| 188 | Elucidation of hydroxyl groups-antioxidant relationship in mono- and dihydroxyflavones based on O-H bond dissociation enthalpies | Treesuwan W., Suramitr S., Hannongbua S. | 2015 | Journal of Molecular Modeling
21(6) | 0 |
| 189 | Electronic structure and optical properties of conjugated molecules: SAC-CI study | Ehara M., Ehara M., Saha B., Poolmee P., Promkatkaew M., Hannongbua S., Lu Y.P., Nakatsuji H., Nakatsuji H. | 2012 | AIP Conference Proceedings
1504,pp. 279-290 | 0 |
| 190 | Electronic structure and optical properties of conjugated molecules: SAC-CI study | Ehara M., Ehara M., Lu Y., Promkatkaew M., Hannongbua S. | 2012 | AIP Conference Proceedings
1504,pp. 848-851 | 0 |
| 191 | Elucidating the action mode of the bi-substrate inhainhibitors as anti-tuberculosis agents through molecular dynamics simulations | Punkvang A., Kamsri P., Kasamsri D., Srisupan A., Saparpakorn P., Hannongbua S., Wolschann P., Prueksaaroon S., Pungpo P. | 2012 | Tuberculosis: Risk Factors, Drug Resistance and Treatment
,pp. 169-180 | 0 |
| 192 | Preface | Hannongbua S., Grudpan K. | 2012 | Pure and Applied Chemistry
84(10),pp. 4 | 0 |
| 193 | Structural and electronic properties of poly(fluorene-pyrrole) copolymer: Time dependent density functional theory investigation | Chidthong R., Maitarat P., Hannongbua S. | 2010 | INEC 2010 - 2010 3rd International Nanoelectronics Conference, Proceedings
,pp. 600-601 | 0 |
| 194 | Investigation of rt1t49 aptamer binding to human immunodeficiency virus 1 reverse transcriptase | Ratanabunyong S., Yagi-Utsumi M., Yanaka S., Kato K., Choowongkomon K., Hannongbua S. | 2021 | Journal of Current Science and Technology
11(1),pp. 51-59 | 0 |
| 195 | Predicting the binding affinity of p38 map kinase inhibitors using free energy calculations | Boonyarat W., Saparpakorn P., Hannongbua S. | 2019 | Chiang Mai Journal of Science
46(1),pp. 93-105 | 0 |
| 196 | Torsional flexibility of undecorated catechol diether compound as potent NNRTI targeting HIV-1 reverse transcriptase | Somboon T., Saparpakorn P., Hannongbua S. | 2019 | Journal of Molecular Graphics and Modelling
86,pp. 286-297 | 0 |
| 197 | Predicting inhibition constants of antimalarial drug compounds using support vector regression | Khamsemanan N., Nattee C., Lawtrakul L., Toochinda P., Hannongbua S. | 2018 | Journal of Nonlinear and Convex Analysis
19(9),pp. 1555-1562 | 0 |
| 198 | In silico multiscale drug design to discover key structural features of potential JAK2 inhibitors | Kamsri P., Punkvang A., Taveepanich S., Ketrat S., Saparpakorn P., Hannongbua S., Suttisintong K., Pangjit K., Pungpo P. | 2022 | Future medicinal chemistry
14(18),pp. 1297-1308 | 0 |
| 199 | 2D-QSAR and CoMFA Models for Antitubercular Activity of Scalarane-Type Sesterterpenes | Thengyai S., Guo Y., Suwanborirux K., Berner H., Spreitzer H., Wolschann P., Hannongbua S., Plubrukarn A. | 2022 | Scientia Pharmaceutica
90(3) | 0 |
| 200 | Insight into free energy and dynamic cross-correlations of residue for binding affinity of antibody and receptor binding domain SARS-CoV-2 | Chong W.L., Chong W.L., Saparpakorn P., Sangma C., Lee V.S., Hannongbua S. | 2023 | Heliyon
9(1) | 0 |
| 201 | Stability improvement of UV-filter between methoxy cinnamic acid derivatives and cyclodextrins inclusion complexes based on DFT and TD-DFT investigations | Promkatkaew M., Boonsri P., Suramitr S., Karpkird T., Wolschann P., Hannongbua S. | 2023 | Journal of Molecular Graphics and Modelling
125 | 0 |
| 202 | Elucidation 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 theory | Prapassornwattana P., Hannongbua S., Saparpakorn P. | 2023 | Biophysical Chemistry
302 | 0 |
| 203 | Biophysical Characterization of p51 and p66 Monomers of HIV-1 Reverse Transcriptase with Their Inhibitors | Seetaha 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. | 2023 | Protein Journal
| 0 |
| 204 | Binding interactions and in silico ADME prediction of isoconessimine derivatives as potent acetylcholinesterase inhibitors | Tue-ngeun P., Tue-ngeun P., Rakitikul W., Rakitikul W., Thinkumrob N., Hannongbua S., Meelua W., Jitonnom J. | 2024 | Journal of Molecular Graphics and Modelling
129 | 0 |
| 205 | Combining Deep Learning and Structural Modeling to Identify Potential Acetylcholinesterase Inhibitors from Hericium erinaceus | Sutthibutpong T., Posansee K., Liangruksa M., Termsaithong T., Piyayotai S., Phitsuwan P., Saparpakorn P., Hannongbua S., Laomettachit T. | 2023 | ACS Omega
| 0 |
| 206 | Development of Aldehyde Functionalized Iridium(III) Complexes Photosensitizers with Strong Visible-Light Absorption for Photocatalytic Hydrogen Generation from Water | Yao X., Zhang Q., Ho P.Y., Yiu S.C., Suramitr S., Hannongbua S., Ho C.L. | 2023 | Inorganics
11(3) | 0 |