Supa Hannongbua

发表

Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography

Pharit Kamsri, Chayanin Hanwarinroj, Naruedon Phusi, 2019, J. Chem. Inf. Model..

In-silico ADME models: a general assessment of their utility in drug discovery applications.

Supa Hannongbua, Anne Hersey, M Paul Gleeson, 2011, Current topics in medicinal chemistry.

Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulations

Supa Hannongbua, Aiichiro Nakano, Manaschai Kunaseth, 2019, Comput. Phys. Commun..

Investigation on an Orientation and Interaction Energy of the Water Molecule in the HIV-1 Reverse Transcriptase Active Site by Quantum Chemical Calculations

Mayuso Kuno, Supa Hannongbua, Rungtiva Palangsuntikul, 2003, J. Chem. Inf. Comput. Sci..

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.

Putchong Uthayopas, Supa Hannongbua, Chak Sangma, 2005, Combinatorial chemistry & high throughput screening.

Interactions between cycloguanil derivatives and wild type and resistance-associated mutant Plasmodium falciparum dihydrofolate reductases

Supa Hannongbua, Yongyuth Yuthavong, Phornphimon Maitarad, 2009, J. Comput. Aided Mol. Des..

Conformational analysis of nevirapine, a non-nucleoside HIV-1 reverse transcriptase inhibitor, based on quantum mechanical calculations

Supa Hannongbua, Pornpan Pungpo, Sirikanok Prasithichokekul, 2001, J. Comput. Aided Mol. Des..

Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approaches

Supa Hannongbua, Sila Kittiwachana, Nawee Kungwan, 2016, Journal of Computer-Aided Molecular Design.

Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors

Supa Hannongbua, Pornpan Pungpo, Peter Wolschann, 1999, J. Comput. Aided Mol. Des..

Excited state properties, fluorescence energies, and lifetime of a poly(fluorene‐pyridine) copolymer, based on TD‐DFT investigation

Supa Hannongbua, Peter Wolschann, Hans Lischka, 2007, J. Comput. Chem..

3D Pharmacophore Mapping Using 4D QSAR Analysis for the Cytotoxicity of Lamellarins Against Human Hormone-Dependent T47D Breast Cancer Cells

Supa Hannongbua, Anton J. Hopfinger, Jianzhong Liu, 2009, J. Chem. Inf. Model..

Investigation of excited‐state properties of fluorene–thiophene oligomers by the SAC‐CI theoretical approach

Supa Hannongbua, Potjaman Poolmee, S. Hannongbua, 2010, J. Comput. Chem..

Frontier Research for HIV-1 Reverse Transcriptase Inhibitor Discovery

Supa Hannongbua, 2010 .

Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene‐phenylene), based on TD‐DFT investigation

Supa Hannongbua, Rungtiwa Chidthong, S. Hannongbua, 2009, J. Comput. Chem..

3D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations

Supa Hannongbua, Pornpan Pungpo, Peter Wolschann, 2001, J. Chem. Inf. Comput. Sci..

Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parameters

Supa Hannongbua, Jumras Limtrakul, Luckhana Lawtrakul, 1996, J. Comput. Aided Mol. Des..

Simulations of Shikimate Dehydrogenase from Mycobacterium tuberculosis in Complex with 3-Dehydroshikimate and NADPH Suggest Strategies for MtbSDH Inhibition

Pharit Kamsri, Auradee Punkvang, Supa Hannongbua, 2019, J. Chem. Inf. Model..

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

Supa Hannongbua, Peter Wolschann, Suwipa Saen-oon, 2003, J. Chem. Inf. Comput. Sci..

The challenges involved in modeling toxicity data in silico: a review.

Andreas Bender, Supa Hannongbua, M Paul Gleeson, 2012, Current pharmaceutical design.

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

Mayuso Kuno, Supa Hannongbua, Suwipa Saen-oon, 2005, Proteins.

Binding of huperzine A and galanthamine to acetylcholinesterase, based on ONIOM method.

Supa Hannongbua, Peter Wolschann, P. Wolschann, 2011, Nanomedicine : nanotechnology, biology, and medicine.

Particular interaction between pyrimethamine derivatives and quadruple mutant type dihydrofolate reductase of Plasmodium falciparum: CoMFA and quantum chemical calculations studies.

Patchreenart Saparpakorn, Supa Hannongbua, Yongyuth Yuthavong, 2009, Journal of enzyme inhibition and medicinal chemistry.

QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS OF HIV-1 RT INHIBITORS IN THE CLASS OF 1-(2-HYDROXYETHOXY)METHYL-5,6-SUBSTITUTED THYMINE HEPT ANALOGUES

Supa Hannongbua, Luckhana Lawtrakul, 1999 .

Molecular docking and NMR binding studies to identify novel inhibitors of human phosphomevalonate kinase.

Supa Hannongbua, Daniel S Sem, Terrence S. Neumann, 2013, Biochemical and biophysical research communications.

Accessible Charges in Structure-Activity Relationships. A Study on HEPT-based HIV-1 RT Inhibitors

Supa Hannongbua, Christian Th. Klein, Peter Wolschann, 2000 .

Theoretical investigation on nevirapine and HIV-1 reverse transcriptase binding site interaction, based on ONIOM method

Mayuso Kuno, Supa Hannongbua, Keiji Morokuma, 2003 .

A combined MD–ONIOM2 approach for 1H NMR chemical shift calculations including a polar solvent

Supa Hannongbua, S. Hannongbua, V. Vailikhit, 2007 .

A detailed binding free energy study of 2:1 ligand-DNA complex formation by experiment and simulation.

Supa Hannongbua, Guillaume Huchet, Kitiyaporn Wittayanarakul, 2009, Physical chemistry chemical physics : PCCP.

Subcritical Water Extraction of Resveratrol from Barks of Shorea Roxburghii G. Don.

Supa Hannongbua, Artiwan Shotipruk, Motonobu Goto, 2014 .

Comparative Molecular Field Analysis of HIV‐1 Reverse Transcriptase Inhibitors in the Class of 1[(2‐Hydroxyethoxy)‐methyl]‐6‐(phenylthio)thymine

Supa Hannongbua, Christoph A. Sotriffer, Bernd M. Rode, 1996 .

Molecular dynamics exploration of poration and leaking caused by Kalata B1 in HIV-infected cell membrane compared to host and HIV membranes

Supa Hannongbua, Marasri Ruengjitchatchawalya, Wanapinun Nawae, 2017, Scientific Reports.

Substrate induced structural and dynamics changes in human phosphomevalonate kinase and implications for mechanism

Supa Hannongbua, Daniel S Sem, D. Sem, 2009, Proteins.

Elucidating Drug-Enzyme Interactions and Their Structural Basis for Improving the Affinity and Potency of Isoniazid and Its Derivatives Based on Computer Modeling Approaches

Auradee Punkvang, Patchreenart Saparpakorn, Supa Hannongbua, 2010, Molecules.

ONIOM-BSSE scheme for H⋯π system and applications on HIV-1 reverse transcriptase

Mayuso Kuno, Supa Hannongbua, S. Hannongbua, 2006 .

Molecular Calculations on the Conformation of the HIV-1 Reverse Transcriptase Inhibitor 1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)thymine (HEPT)

Supa Hannongbua, Peter Wolschann, Luckhana Lawtrakul, 1999 .

Exploring the molecular basis for selective cytotoxicity of lamellarins against human hormone-dependent T47D and hormone-independent MDA-MB-231 breast cancer cells

Patchreenart Saparpakorn, Supa Hannongbua, Montakarn Chittchang, 2011 .

Elucidating the origin of the esterase activity of human serum albumin using QM/MM calculations.

Supa Hannongbua, S. Hannongbua, Oraphan Phuangsawai, 2014, The journal of physical chemistry. B.

A novel prediction approach for antimalarial activities of Trimethoprim, Pyrimethamine, and Cycloguanil analogues using extremely randomized trees.

Supa Hannongbua, Cholwich Nattee, Nirattaya Khamsemanan, 2017, Journal of molecular graphics & modelling.

Investigating the structural basis of arylamides to improve potency against M. tuberculosis strain through molecular dynamics simulations.

Auradee Punkvang, Patchreenart Saparpakorn, Supa Hannongbua, 2010, European journal of medicinal chemistry.