Kshatresh Dutta Dubey

According to our database, Kshatresh Dutta Dubey authored at least 5 papers between 2012 and 2022.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2022

Local Electric Fields Dictate Function: The Different Product Selectivities Observed for Fatty Acid Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSβ.

Shalini Yadav, Sason Shaik, Shakir Ali Siddiqui, Surajit Kalita, Kshatresh Dutta Dubey

J. Chem. Inf. Model., 2022

The Performance of Different Water Models on the Structure and Function of Cytochrome P450 Enzymes.

Shalini Yadav, Vandana Kardam, Ankita Tripathi, Shruti T. G, Kshatresh Dutta Dubey

J. Chem. Inf. Model., 2022

A multidrug efflux protein in <i>Mycobacterium tuberculosis</i>; tap as a potential drug target for drug repurposing.

Manish Dwivedi, Sutanu Mukhopadhyay, Shalini Yadav, Kshatresh Dutta Dubey

Comput. Biol. Medicine, 2022

2021

Drug Repurposing to Identify Nilotinib as a Potential SARS-CoV-2 Main Protease Inhibitor: Insights from a Computational and In Vitro Study.

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

J. Chem. Inf. Model., 2021

2012

Stability and free energy calculation of LNA modified quadruplex: a molecular dynamics study.

Amit Kumar Chaubey, Kshatresh Dutta Dubey, Rajendra Prasad Ojha

J. Comput. Aided Mol. Des., 2012