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Anil Mhashal
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Effect of gold nanoparticle on structure and fluidity of lipid membrane
AR Mhashal, S Roy
PLoS One 9 (12), e114152, 2014
532014
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), 1-8, 2018
442018
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
202017
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
132019
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
122018
Self-assembly of phospholipids on flat supports
AR Mhashal, S Roy
Physical Chemistry Chemical Physics 17 (46), 31152-31160, 2015
112015
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
92020
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
92016
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
82018
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
82017
Free energy of bare and capped gold nanoparticles permeating through a lipid bilayer
AR Mhashal, S Roy
ChemPhysChem 17 (21), 3504-3514, 2016
72016
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
72016
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 (3), 1-14, 2016
62016
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
42021
Nuclear quantum effects in enzymatic reactions
DT Major, R Eitan, S Das, A Mhashal, V Singh
Simulating Enzyme Reactivity, 340-374, 2016
32016
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
22019
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
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
2022
Practical Aspects of Multiscale
M Dixit, S Das, AR Mhashal, R Eitan, DT Major
Computational Approaches for Studying Enzyme Mechanism Part A, 251, 2016
2016
ATP induced conformational flexibility in PcrA helicase and properties of lipid membrane in presence of nanoparticles and surfaces: molecular simulations
AR Mhashal
CSIR-National Chemical Laboratory, Pune, 2015
2015
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Articles 1–20