Kshatresh Dutta Dubey

Kshatresh Dutta Dubey

Shiv Nadar University - Dadri / India
Natural Sciences / Biological Science
AD Scientific Index ID: 359344
शिव नादर विश्वविद्यालय
person_outline Kshatresh Dutta Dubey's MOST POPULAR ARTICLES
1-) A redox-mediated Kemp eliminaseSSMTR Aitao Li, Binju Wang, Adriana Ilie, Kshatresh D. Dubey, Gert Bange ...Nature communications 8 (1), 1, 2017133*2017
2-) Cytochrome P450—the wonderful nanomachine revealed through dynamic simulations of the catalytic cycleKD Dubey, S ShaikAccounts of Chemical Research 52 (2), 389-399, 20191302019
3-) Molecular dynamics and QM/MM calculations predict the substrate-induced gating of cytochrome P450 BM3 and the regio-and stereoselectivity of fatty acid hydroxylationKD Dubey, B Wang, S ShaikJournal of the American Chemical Society 138 (3), 837-845, 2016692016
4-) Quantum mechanical/molecular mechanical calculated reactivity networks reveal how cytochrome P450cam and Its T252A mutant select their oxidation pathwaysB Wang, C Li, KD Dubey, S ShaikJournal of the American Chemical Society 137 (23), 7379-7390, 2015772015
5-) Solvent organization and rate regulation of a menshutkin reaction by oriented external electric fields are revealed by combined MD and QM/MM calculationsK Dutta Dubey, T Stuyver, S Kalita, S ShaikJournal of the American Chemical Society 142 (22), 9955-9965, 2020752020