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M Paul Gleeson

Showing results (11-20 of 53) with videos related to

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Journal of Molecular Graphics & Modelling|November 16, 2010
QM methods in structure based design: utility in probing protein-ligand interactionsM Paul Gleeson, Supa Hannongbua, Duangkamol Gleeson
Organic & 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 Gleeson
The Journal of Physical Chemistry. B|December 8, 2018
Theoretical Evaluation of the Reaction Mechanism of Serine HydroxymethyltransferaseJirapat Santatiwongchai, Duangkamol Gleeson, M Paul Gleeson
The Journal of Physical Chemistry. B|July 31, 2015
Probing the Catalytic Mechanism Involved in the Isocitrate Lyase Superfamily: Hybrid Quantum Mechanical/Molecular Mechanical Calculations on 2,3-Dimethylmalate LyaseNathjanan Jongkon, Warot Chotpatiwetchkul, M Paul Gleeson
Chemistry, an Asian Journal|June 23, 2025
Synthesis of Functionalized Benzo[h]Quinolines via Base-Catalyzed 1,4-Addition/Intramolecular Annulation CascadeWannaporn Disadee, M Paul Gleeson, Somsak Ruchirawat
Chemical 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 Gleeson
Chemical Communications (Cambridge, England)|September 19, 2003
Prediction of the potency of inhibitors of adenosine deaminase by QM/MM calculationsM Paul Gleeson, Neil A Burton, Ian H Hillier
Journal of Computer-Aided Molecular Design|September 9, 2019
Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energiesSaw Simeon, Nathjanan Jongkon, Warot Chotpatiwetchkul, et al.
Organic & Biomolecular Chemistry|August 12, 2004
Theoretical analysis of peptidyl alpha-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug designM Paul Gleeson, Ian H Hillier, Neil A Burton
European Journal of Medicinal Chemistry|February 20, 2010
Assessing the drug-likeness of lamellarins, a marine-derived natural product class with diverse oncological activitiesMontakarn Chittchang, M Paul Gleeson, Poonsakdi Ploypradith, et al.
Pageof 6

Showing results (11-20 of 53) with videos related to

Sort By:
Pageof 6
Journal of Molecular Graphics & Modelling|November 16, 2010
QM methods in structure based design: utility in probing protein-ligand interactionsM Paul Gleeson, Supa Hannongbua, Duangkamol Gleeson
Organic & 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 Gleeson
The Journal of Physical Chemistry. B|December 8, 2018
Theoretical Evaluation of the Reaction Mechanism of Serine HydroxymethyltransferaseJirapat Santatiwongchai, Duangkamol Gleeson, M Paul Gleeson
The Journal of Physical Chemistry. B|July 31, 2015
Probing the Catalytic Mechanism Involved in the Isocitrate Lyase Superfamily: Hybrid Quantum Mechanical/Molecular Mechanical Calculations on 2,3-Dimethylmalate LyaseNathjanan Jongkon, Warot Chotpatiwetchkul, M Paul Gleeson
Chemistry, an Asian Journal|June 23, 2025
Synthesis of Functionalized Benzo[h]Quinolines via Base-Catalyzed 1,4-Addition/Intramolecular Annulation CascadeWannaporn Disadee, M Paul Gleeson, Somsak Ruchirawat
Chemical 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 Gleeson
Chemical Communications (Cambridge, England)|September 19, 2003
Prediction of the potency of inhibitors of adenosine deaminase by QM/MM calculationsM Paul Gleeson, Neil A Burton, Ian H Hillier
Journal of Computer-Aided Molecular Design|September 9, 2019
Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energiesSaw Simeon, Nathjanan Jongkon, Warot Chotpatiwetchkul, et al.
Organic & Biomolecular Chemistry|August 12, 2004
Theoretical analysis of peptidyl alpha-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug designM Paul Gleeson, Ian H Hillier, Neil A Burton
European Journal of Medicinal Chemistry|February 20, 2010
Assessing the drug-likeness of lamellarins, a marine-derived natural product class with diverse oncological activitiesMontakarn Chittchang, M Paul Gleeson, Poonsakdi Ploypradith, et al.
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