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Kshatresh Dutta Dubey
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2020 – today
- 2022
- [j5]Manish Dwivedi
, Sutanu Mukhopadhyay
, Shalini Yadav
, Kshatresh Dutta Dubey:
A multidrug efflux protein in Mycobacterium tuberculosis; tap as a potential drug target for drug repurposing. Comput. Biol. Medicine 146: 105607 (2022) - [j4]Shalini Yadav
, Sason Shaik
, Shakir Ali Siddiqui
, Surajit Kalita
, Kshatresh Dutta Dubey
:
Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβ. J. Chem. Inf. Model. 62(4): 1025-1035 (2022) - [j3]Shalini Yadav
, Vandana Kardam, Ankita Tripathi, Shruti T. G, Kshatresh Dutta Dubey
:
The Performance of Different Water Models on the Structure and Function of Cytochrome P450 Enzymes. J. Chem. Inf. Model. 62(24): 6679-6690 (2022) - 2021
- [j2]Souvik Banerjee, Shalini Yadav
, Sourav Banerjee, Sayo O. Fakayode, Jyothi Parvathareddy, Walter Reichard, Surekha Surendranathan, Foyez Mahmud, Ryan Whatcott, Joshua Thammathong, Bernd Meibohm, Duane D. Miller, Colleen B. Jonsson, Kshatresh Dutta Dubey:
Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and In Vitro Study. J. Chem. Inf. Model. 61(11): 5469-5483 (2021)
2010 – 2019
- 2012
- [j1]Amit Kumar Chaubey, Kshatresh Dutta Dubey
, Rajendra Prasad Ojha:
Stability and free energy calculation of LNA modified quadruplex: a molecular dynamics study. J. Comput. Aided Mol. Des. 26(3): 289-299 (2012)
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