Search

Catalysis

Working Paper

Local Electric Fields Dictate Function: The Different Product Selectivity Observed for Fatty Acids Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSbeta

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

Version 1 posted 29 June 2021

378

Downloads

Catalysis

Working Paper

Can Electric Field be a Descriptor of Catalytic Activity? A Case Study on Chorismate Mutase

Shakir Ali Siddqui, Kshatresh Dubey

Version 1 posted 02 September 2021

337

Downloads

Catalysis

Working Paper

MD Simulations and QM/MM Calculations Reveal the Key Mechanistic Ele-ments which are Responsible for the Efficient C-H Amination Reaction Per-formed by a Bioengineered P450 Enzyme

Surajit Kalita, Sason Shaik, Kshatresh Dubey

Version 1 posted 28 June 2021

368

Downloads

Theoretical and Computational Chemistry

Working Paper

A Single Site Mutation Can Induce a Functional Promiscuity in Homoserine Kinase

Ankita Tripathi, Kshatresh Dubey

Version 1 posted 22 March 2023

122

Downloads

Catalysis

Working Paper

A Porphyrin-Based Molecular Cage Guided by Designed Local-Electric Field Is Highly Selective and Efficient

Shakir Ali Siddiqui, Sason Shaik, Surajit Kalita, Kshatresh Dubey

Version 1 posted 29 August 2023

207

Downloads

Catalysis

Working Paper

Mechanism Reveals a Novel Site for Allosteric Inhibition of Carcinogenic Activity of Human 3-Phosphoglycerate Dehydrogenase

Ankita Tripathi, Qinghua Liao, Kshatresh Dubey

Version 1 posted 04 December 2023

114

Downloads

Catalysis

Working Paper

A Single Site Mutation Induces a Water-Mediated Promiscuity in Lignin Breaking Cytochrome P450GcoA

Warispreet Singh, Sonia Santos, Paul James, Gary Black, Meilan Huang, Kshatresh Dubey

Version 2 posted 08 April 2022

180

Downloads

Catalysis

Working Paper

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 Dubey

Version 1 posted 09 August 2022

280

Downloads

Catalysis

Working Paper

Structural and Mechanistic Insights into Oxidative Biaryl Coupling to form Arylomycin Core by an Engineered CYP450

Vandana Kardam, Kshatresh Dubey

Version 1 posted 22 March 2024

156

Downloads

Catalysis

Working Paper

The Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450OleT

Shalini Yadav, Sason Shaik, Kshatresh Dubey

Version 1 posted 12 January 2023

178

Downloads

Refine Search

12 results in Kshatresh Dubey in Authors: Kshatresh Dubey

Local Electric Fields Dictate Function: The Different Product Selectivity Observed for Fatty Acids Oxidation by Two Deceptively Very Similar P450-Peroxygenases OleT and BSbeta

Can Electric Field be a Descriptor of Catalytic Activity? A Case Study on Chorismate Mutase

MD Simulations and QM/MM Calculations Reveal the Key Mechanistic Ele-ments which are Responsible for the Efficient C-H Amination Reaction Per-formed by a Bioengineered P450 Enzyme

A Single Site Mutation Can Induce a Functional Promiscuity in Homoserine Kinase

A Porphyrin-Based Molecular Cage Guided by Designed Local-Electric Field Is Highly Selective and Efficient

Mechanism Reveals a Novel Site for Allosteric Inhibition of Carcinogenic Activity of Human 3-Phosphoglycerate Dehydrogenase

A Single Site Mutation Induces a Water-Mediated Promiscuity in Lignin Breaking Cytochrome P450GcoA

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

Structural and Mechanistic Insights into Oxidative Biaryl Coupling to form Arylomycin Core by an Engineered CYP450

The Decarboxylation and Protonation Enigma in the H85Q Mutant of Cytochrome P450OleT

12 results in Authors: Kshatresh Dubey