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Journal of Chemical Information and Computer Sciences|September 23, 2003
Investigation on an orientation and interaction energy of the water molecule in the HIV-1 reverse transcriptase active site by quantum chemical calculationsMayuso Kuno, Rungtiva Palangsuntikul, Supa HannongbuaJournal of Enzyme Inhibition and Medicinal Chemistry|June 23, 2005
Molecular mechanics PBSA ligand binding energy and interaction of Efavirenz derivatives with HIV-1 reverse transcriptasePhilipp Weinzinger, Supa Hannongbua, Peter WolschannJournal of Molecular Modeling|May 7, 2015
Elucidation of hydroxyl groups-antioxidant relationship in mono- and dihydroxyflavones based on O-H bond dissociation enthalpiesWitcha Treesuwan, Songwut Suramitr, Supa HannongbuaCurrent Medicinal Chemistry|July 23, 2003
Hologram quantitative structure-activity relationships investigations of non-nucleoside reverse transcriptase inhibitorsPornpan Pungpo, Supa Hannongbua, Peter WolschannScientific Reports|February 5, 2014
Defining the membrane disruption mechanism of kalata B1 via coarse-grained molecular dynamics simulationsWanapinun Nawae, Supa Hannongbua, Marasri RuengjitchatchawalyaBiophysical Chemistry|September 25, 2023
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 theoryPavinee Prapassornwattana, Supa Hannongbua, Patchreenart SaparpakornThe Journal of Physical Chemistry. B|September 16, 2014
Elucidating the origin of the esterase activity of human serum albumin using QM/MM calculationsOraphan Phuangsawai, Supa Hannongbua, M Paul GleesonMolecules (Basel, Switzerland)|September 14, 2007
Investigation on the binding of polycyclic aromatic hydrocarbons with soil organic matter: a theoretical approachPatchreenart Saparpakorn, Jae Hyoun Kim, Supa HannongbuaJournal of Molecular Modeling|May 5, 2011
Insight into the reaction mechanism of cis,cis-muconate lactonizing enzymes: a DFT QM/MM studyTuanjai Somboon, Matthew Paul Gleeson, Supa HannongbuaCurrent Topics in Medicinal Chemistry|February 16, 2011
In-silico ADME models: a general assessment of their utility in drug discovery applicationsM Paul Gleeson, Anne Hersey, Supa HannongbuaPageof 12