Kshatresh Dutta Dubey, Ph. D

Institute of Chemistry Hebrew University, Jerusalem, Jerusalem, Israel 
Computational Biophysics
"Kshatresh Dubey"
Mean distance: 8.6


Sign in to add trainee
Surajit Kalita grad student Shiv Nadar University (Neurotree)
Shakir Ali Siddiqui grad student Shiv Nadar University (Neurotree)
Shalini Yadav grad student (Neurotree)
Vandana Kardam grad student 2020- Shiv Nadar University (Neurotree)
Ankita Tripathi grad student 2019-2023 (Neurotree)
BETA: Related publications


You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect.

Dubey KD, Stuyver T, Shaik S. (2022) Local Electric Fields: From Enzyme Catalysis to Synthetic Catalyst Design. The Journal of Physical Chemistry. B
T G S, Siddiqui SA, Dubey KD. (2022) Unraveling key interactions and the mechanism of demethylation during hAGT-mediated DNA repair simulations. Frontiers in Molecular Biosciences. 9: 975046
Kardam V, Kalita S, Dubey KD. (2022) Computations reveal a crucial role of an aromatic dyad in the catalytic function of plant cytochrome P450 mint superfamily. Journal of Inorganic Biochemistry. 237: 111990
Yadav S, Kardam V, Tripathi A, et al. (2022) The Performance of Different Water Models on the Structure and Function of Cytochrome P450 Enzymes. Journal of Chemical Information and Modeling
Guha S, El-Deeb IY, Yadav S, et al. (2022) Capturing a Pentacyclic Fragment-Based Library Derived from Perophoramidine: Their Design, Synthesis and Evaluation as Anticancer Compounds via DNA Double-Strand Breaks (DSB) and PARP-1 Inhibition. Chemistry (Weinheim An Der Bergstrasse, Germany)
Singh W, Santos SFG, James P, et al. (2022) Single-Site Mutation Induces Water-Mediated Promiscuity in Lignin Breaking Cytochrome P450. Acs Omega. 7: 21109-21118
Dwivedi M, Mukhopadhyay S, Yadav S, et al. (2022) A multidrug efflux protein in Mycobacterium tuberculosis; tap as a potential drug target for drug repurposing. Computers in Biology and Medicine. 146: 105607
Devi SS, Kardam V, Dubey KD, et al. (2022) Deciphering the immunogenic T-cell epitopes from spike protein of SARS-CoV-2 concerning the diverse population of India. Journal of Biomolecular Structure & Dynamics. 1-20
Yadav S, Shaik S, Siddiqui SA, et al. (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. Journal of Chemical Information and Modeling
Dubey KD, Wang B, Si Y, et al. (2021) Editorial: Molecular Dynamics Simulations of Metalloproteins and Metalloenzymes. Frontiers in Chemistry. 9: 789299
See more...