Anil R. Mhashal

Dr. Homi Bhabha Road
Pune, MH 411008, India

Last Updated: 09/26/2026

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Found 15 publications

The effect of double (S238F/W159H) mutations on the structure and dynamics of PET degrading enzyme.

The effect of double (S238F/W159H) mutations on the structure and dynamics of PET degrading enzyme.

Journal: Journal of biomolecular structure & dynamics

Published: December 14, 2023

Exploring the Conformational Impact of Glycine Receptor TM1-2 Mutations Through Coarse-Grained Analysis and Atomistic Simulations.

Exploring the Conformational Impact of Glycine Receptor TM1-2 Mutations Through Coarse-Grained Analysis and Atomistic Simulations.

Journal: Frontiers in molecular biosciences

Published: March 06, 2022

Temperature-Dependent Kinetic Isotope Effects in R67 Dihydrofolate Reductase from Path-Integral Simulations.

Temperature-Dependent Kinetic Isotope Effects in R67 Dihydrofolate Reductase from Path-Integral Simulations.

Journal: The journal of physical chemistry. B

Published: February 01, 2021

Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase.

Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase.

Journal: ACS catalysis

Published: June 23, 2020

EnzyDock: Protein-Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes.

EnzyDock: Protein-Ligand Docking of Multiple Reactive States along a Reaction Coordinate in Enzymes.

Journal: Journal of chemical theory and computation

Published: August 07, 2019

Effect of Asp122 Mutation on the Hydride Transfer in E. coli DHFR Demonstrates the Goldilocks of Enzyme Flexibility.

Effect of Asp122 Mutation on the Hydride Transfer in E. coli DHFR Demonstrates the Goldilocks of Enzyme Flexibility.

Journal: The journal of physical chemistry. B

Published: July 25, 2018

Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis.

Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis.

Journal: Nature communications

Published: June 12, 2018

The role of the Met20 loop in the hydride transfer in Escherichia coli dihydrofolate reductase.

The role of the Met20 loop in the hydride transfer in Escherichia coli dihydrofolate reductase.

Journal: The Journal of biological chemistry

Published: January 17, 2017

Practical Aspects of Multiscale Classical and Quantum Simulations of Enzyme Reactions.

Practical Aspects of Multiscale Classical and Quantum Simulations of Enzyme Reactions.

Journal: Methods in enzymology

Published: August 09, 2016

Free Energy of Bare and Capped Gold Nanoparticles Permeating through a Lipid Bilayer.

Free Energy of Bare and Capped Gold Nanoparticles Permeating through a Lipid Bilayer.

Journal: Chemphyschem : a European journal of chemical physics and physical chemistry

Published: June 26, 2016

Nucleoside-2',3'/3',5'-bis(thio)phosphate antioxidants are also capable of disassembly of amyloid beta42-Zn(ii)/Cu(ii) aggregates via Zn(ii)/Cu(ii)-chelation.

Nucleoside-2',3'/3',5'-bis(thio)phosphate antioxidants are also capable of disassembly of amyloid beta42-Zn(ii)/Cu(ii) aggregates via Zn(ii)/Cu(ii)-chelation.

Journal: Organic & biomolecular chemistry

Published: April 26, 2016

Functional stability and structural transitions of Kallikrein: spectroscopic and molecular dynamics studies.

Functional stability and structural transitions of Kallikrein: spectroscopic and molecular dynamics studies.

Journal: Journal of biomolecular structure & dynamics

Published: March 18, 2016

Showing 1-12 of 15

Last Updated: 09/26/2026