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Organic & Biomolecular Chemistry|August 4, 2012
Evaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energiesDuangkamol Gleeson, Ben Tehan, M Paul Gleeson, et al.
Organic & Biomolecular Chemistry|June 23, 2017
Exploring the catalytic mechanism of dihydropteroate synthase: elucidating the differences between the substrate and inhibitorWarot Chotpatiwetchkul, Kanokthip Boonyarattanakalin, Duangkamol Gleeson, et al.
Chemical Research in Toxicology|January 14, 2014
Skin sensitization prediction using quantum chemical calculations: a theoretical model for the S(N)Ar domainMalinee Promkatkaew, Duangkamol Gleeson, Supa Hannongbua, et al.
Journal of Computational Chemistry|November 18, 2022
Computational investigation of the radical-mediated mechanism of formation of difluoro methyl oxindoles: Elucidation of the reaction selectivity and yieldsThanachon Somnarin, Pacharaporn Krawmanee, Matthew Paul Gleeson, et al.
RSC Medicinal Chemistry|August 25, 2025
Computationally guided optimization of the antimalarial activity and physicochemical properties of 2,4-diaminopyrimidinesGuntur Guntur, Duangkamol Gleeson, Mark Anderson, et al.
Chemical Biology & Drug Design|May 9, 2024
Comparison of feline and human immunodeficiency virus reverse transcriptase enzymes through chemical screening and computational analysisPhanicha Thammajong, Thitinan Aiebchun, Kanokthip Boonyarattanakalin, et al.
Journal of Chemical Information and Modeling|March 18, 2025
Probing the Effect of Protein and Inhibitor Conformational Flexibility on the Reaction of Rocelitinib-Like Covalent Inhibitors of Epidermal Growth Factor Receptor. A Quantum Mechanics/Molecular Mechanics StudyOrathai Kaewkham, Duangkamol Gleeson, Poowadon Fukasem, et al.
Bioorganic & Medicinal Chemistry|January 10, 2026
Computationally guided design of N<sup>4</sup>-(2-methyl-2H-indazol-6-yl)-N<sup>2</sup>-phenylpyrimidine-2,4-diamine inhibitors of EGFR kinase targeting Cys797Adchata Konsue, Duangkamol Gleeson, Kiattawee Choowongkomon, et al.
RSC Medicinal Chemistry|December 23, 2022
Preparation, biological evaluation and QSAR analysis of urea substituted 2,4-diamino-pyrimidine anti-malarialsBorvornwat Toviwek, Jennifer Riley, Nicole Mutter, et al.
Bioorganic & Medicinal Chemistry|September 19, 2024
Design, preparation and biological evaluation of new Rociletinib-inspired analogs as irreversible EGFR inhibitors to treat non-small-cell-lung cancerAdchata Konsue, Thomanai Lamtha, Duangkamol Gleeson, et al.
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