KD
Kshatresh Dutta Dubey
Shiv Nadar University, Hebrew University of Jerusalem, Deen Dayal Upadhyay Gorakhpur University
0000-0001-8865-7602
About
I am a researcher interested in new and innovative things. I am basically a molecular modeler having expertize of MD simulations, free energy calculations, protein-protein, protein-ligands interactions.
Employment
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Shiv Nadar University Group Leader2019 - Present
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Hebrew University of Jerusalem Post doctoral Researcher2014 - 2017
Education
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Deen Dayal Upadhyay Gorakhpur University PhD2008 - 2012
Projects & Funding
Projects & funding information is unavailable.
Publications (79)
- Structural and mechanistic insights into oxidative biaryl coupling to form the arylomycin core by an engineered CYP450 Save
- Structure-Based Discovery of MolPort-137: A Novel Autotaxin Inhibitor That Improves Paclitaxel Efficacy Save
- Designed CYP450 Scaffold That Possesses a Local Electric Field Biodegrades Polyethylene Terephthalate Save
- Mechanism of a Novel Metal-Free Carbonic Anhydrase Save
- Understanding the Functional Dynamics of the TokK Enzyme in Carbapenem Biosynthesis via MD Simulations and QM/MM Calculations Save
- Structural and Mechanistic Insights into Oxidative Biaryl Coupling to form Arylomycin Core by an Engineered CYP450 Save
- Mechanism of a novel metal-free carbonic anhydrase Save
- On the engineering of reductase-based-monooxygenase activity in CYP450 peroxygenases Save
- Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450OleT Save
- Computationally guided bioengineering of the active site, substrate access pathway, and water channels of thermostable cytochrome P450, CYP175A1, for catalyzing the alkane hydroxylation reaction Save