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2020 – today
- 2023
[j7]Thanachon Somnarin, Pacharaporn Krawmanee, Matthew Paul Gleeson
, Duangkamol Gleeson:
Computational investigation of the radical-mediated mechanism of formation of difluoro methyl oxindoles: Elucidation of the reaction selectivity and yields. J. Comput. Chem. 44(5): 670-676 (2023)- 2020
- [j6]Nalini Schaduangrat, Samuel Lampa, Saw Simeon, Matthew Paul Gleeson, Ola Spjuth, Chanin Nantasenamat:
Towards reproducible computational drug discovery. J. Cheminformatics 12(1): 9 (2020)
2010 – 2019
- 2019
- [j5]Saw Simeon, Nathjanan Jongkon, Warot Chotpatiwetchkul, Matthew Paul Gleeson:
Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energies. J. Comput. Aided Mol. Des. 33(8): 745-757 (2019)
2000 – 2009
- 2009
- [j4]Matthew Paul Gleeson, Duangkamol Gleeson:
QM/MM Calculations in Drug Discovery: A Useful Method for Studying Binding Phenomena? J. Chem. Inf. Model. 49(3): 670-677 (2009) - [j3]Matthew Paul Gleeson, Duangkamol Gleeson:
QM/MM As a Tool in Fragment Based Drug Discovery. A Cross-Docking, Rescoring Study of Kinase Inhibitors. J. Chem. Inf. Model. 49(6): 1437-1448 (2009) - 2007
- [j2]Matthew Paul Gleeson, Andrew M. Davis, Kamaldeep K. Chohan, Stuart Paine, Scott Boyer, Claire L. Gavaghan, Catrin Hasselgren Arnby, Cecilia Kankkonen, Nan Albertson:
Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models. J. Comput. Aided Mol. Des. 21(10-11): 559-573 (2007) - 2005
- [j1]Duangkamol Tantanak, Jumras Limtrakul, Matthew Paul Gleeson:
Probing the Structural and Electronic Factors Affecting the Adsorption and Reactivity of Alkenes in Acidic Zeolites Using DFT Calculations and Multivariate Statistical Methods. J. Chem. Inf. Model. 45(5): 1303-1312 (2005)
Coauthor Index
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