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The Journal of Physical Chemistry. A|November 8, 2011
Skeletal isomerization of butene in ferrierite: assessing the energetic and structural differences between carbenium and alkoxide based pathwaysDuangkamol GleesonJournal of Computer-Aided Molecular Design|March 18, 2008
A theoretical study of cis-trans isomerisation in H-ZSM5: probing the impact of cluster size and zeolite framework on energetics and structureDuangkamol GleesonJournal of Chemical Information and Modeling|May 13, 2009
QM/MM calculations in drug discovery: a useful method for studying binding phenomena?M Paul Gleeson, Duangkamol GleesonJournal of Chemical Information and Modeling|May 23, 2009
QM/MM as a tool in fragment based drug discovery. A cross-docking, rescoring study of kinase inhibitorsM Paul Gleeson, Duangkamol GleesonChemical Research in Toxicology|October 19, 2024
Estimation of the Skin Sensitization Potential of Chemicals of the Acyl Domain Using DFT-Based CalculationsPichayapa Limluan, M Paul Gleeson, Duangkamol GleesonOrganic & Biomolecular Chemistry|January 27, 2021
QM/MM and molecular dynamics investigation of the mechanism of covalent inhibition of TAK1 kinaseBorvornwat Toviwek, Duangkamol Gleeson, M Paul GleesonJournal of Molecular Graphics & Modelling|November 16, 2010
QM methods in structure based design: utility in probing protein-ligand interactionsM Paul Gleeson, Supa Hannongbua, Duangkamol GleesonOrganic & Biomolecular Chemistry|August 16, 2018
Elucidation of the catalytic mechanism of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase using QM/MM calculationsNathjanan Jongkon, Duangkamol Gleeson, M Paul GleesonThe Journal of Physical Chemistry. B|December 8, 2018
Theoretical Evaluation of the Reaction Mechanism of Serine HydroxymethyltransferaseJirapat Santatiwongchai, Duangkamol Gleeson, M Paul GleesonThe Journal of Organic Chemistry|March 7, 2019
Theoretical Investigation of the Enantioselective [4 + 2] Cycloaddition Reaction of o-Hydroxystyrene and AzlactoneNapassorn Jensupakarn, M Paul Gleeson, Duangkamol Gleeson, et al.Pageof 3