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Anil Mhashal
Anil Mhashal
App. Scientist, Presience Insilico
Verified email at prescience.in
Title
Cited by
Cited by
Year
Effect of gold nanoparticle on structure and fluidity of lipid membrane
AR Mhashal, S Roy
PLoS One 9 (12), e114152, 2014
632014
Towards a comprehensive understanding of the structural dynamics of a bacterial diterpene synthase during catalysis
R Driller, S Janke, M Fuchs, E Warner, AR Mhashal, DT Major, ...
Nature communications 9 (1), 3971, 2018
592018
Enzydock: Protein–ligand docking of multiple reactive states along a reaction coordinate in enzymes
S Das, M Shimshi, K Raz, N Nitoker Eliaz, AR Mhashal, T Ansbacher, ...
Journal of Chemical Theory and Computation 15 (9), 5116-5134, 2019
292019
The role of the Met20 loop in the hydride transfer in Escherichia coli dihydrofolate reductase
AR Mhashal, A Vardi-Kilshtain, A Kohen, DT Major
Journal of Biological Chemistry 292 (34), 14229-14239, 2017
252017
Evolutionary Effects on Bound Substrate pKa in Dihydrofolate Reductase
AR Mhashal, Y Pshetitsky, CM Cheatum, A Kohen, DT Major
Journal of the American Chemical Society 140 (48), 16650-16660, 2018
172018
Modeling the role of a flexible loop and active site side chains in hydride transfer catalyzed by glycerol-3-phosphate dehydrogenase
AR Mhashal, A Romero-Rivera, LS Mydy, JR Cristobal, AM Gulick, ...
ACS catalysis 10 (19), 11253-11267, 2020
152020
Self-assembly of phospholipids on flat supports
AR Mhashal, S Roy
Physical Chemistry Chemical Physics 17 (46), 31152-31160, 2015
112015
Functional stability and structural transitions of Kallikrein: spectroscopic and molecular dynamics studies
S Dalal, A Mhashal, N Kadoo, SM Gaikwad
Journal of Biomolecular Structure and Dynamics 35 (2), 330-342, 2017
102017
Practical aspects of multiscale classical and quantum simulations of enzyme reactions
M Dixit, S Das, AR Mhashal, R Eitan, DT Major
Methods in enzymology 577, 251-286, 2016
102016
Nucleoside-2′, 3′/3′, 5′-bis (thio) phosphate antioxidants are also capable of disassembly of amyloid beta 42-Zn (ii)/Cu (ii) aggregates via Zn (ii)/Cu (ii)-chelation
BL Hevroni, DT Major, M Dixit, AR Mhashal, S Das, B Fischer
Organic & Biomolecular Chemistry 14 (20), 4640-4653, 2016
102016
Temperature-dependent kinetic isotope effects in R67 dihydrofolate reductase from path-integral simulations
AR Mhashal, DT Major
The Journal of Physical Chemistry B 125 (5), 1369-1377, 2021
92021
Effect of Asp122 Mutation on the Hydride Transfer in E. coli DHFR Demonstrates the Goldilocks of Enzyme Flexibility
AR Mhashal, Y Pshetitsky, R Eitan, CM Cheatum, A Kohen, DT Major
The Journal of Physical Chemistry B 122 (33), 8006-8017, 2018
92018
Free energy of bare and capped gold nanoparticles permeating through a lipid bilayer
AR Mhashal, S Roy
ChemPhysChem 17 (21), 3504-3514, 2016
92016
Probing the ATP-induced conformational flexibility of the PcrA helicase protein using molecular dynamics simulation
AR Mhashal, CK Choudhury, S Roy
Journal of molecular modeling 22, 1-14, 2016
62016
Chemical and biochemical approaches for the synthesis of substituted dihydroxybutanones and di-and tri-hydroxypentanones
D Al-Smadi, TR Enugala, V Kessler, AR Mhashal, SC Lynn Kamerlin, ...
The Journal of Organic Chemistry 84 (11), 6982-6991, 2019
32019
Nuclear quantum effects in enzymatic reactions
DT Major, R Eitan, S Das, A Mhashal, V Singh
32016
Exploring the conformational impact of novel glycine receptor mutations through coarse-grained analysis and atomistic simulations
AR Mhashal, O Yoluk, L Orellana
Frontiers in Molecular Biosciences, 542, 2022
2*2022
Computational techniques to study protein dynamics and conformations
A Mhashal, A Emperador, L Orellana
Advances in Protein Molecular and Structural Biology Methods, 199-212, 2022
12022
The effect of double (S238F/W159H) mutations on the structure and dynamics of PET degrading enzyme
AR Mhashal, N Kumar T, N Kumar, A Singhal, A Ravandur, P Sokkar, ...
Journal of Biomolecular Structure and Dynamics, 1-11, 2023
2023
DESIGN AND SYNTHESIS OF DENSELY FUNCTIONALIZED NOVEL SPIROOXINDOLES AS ANTICANCER AGENTS
P Shanmugasundaram, D Easwaramoorthy, AR Mhashal, A Khan
2023
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Articles 1–20