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Rajesh K. Murarka
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Year
Molecular view of water dynamics near model peptides
D Russo, RK Murarka, JRD Copley, T Head-Gordon
The Journal of Physical Chemistry B 109 (26), 12966-12975, 2005
1452005
Hydration water dynamics near biological interfaces
ME Johnson, C Malardier-Jugroot, RK Murarka, T Head-Gordon
The Journal of Physical Chemistry B 113 (13), 4082-4092, 2009
752009
Simulation of protein structure and dynamics with the coarse-grained UNRES force field
A Liwo, C Czaplewski, S Ołdziej, AV Rojas, R Kazmierkiewicz, ...
Coarse-graining of condensed phase and biomolecular systems 1, 1391-1411, 2008
732008
Evidence for anomalous hydration dynamics near a model hydrophobic peptide
D Russo, RK Murarka, G Hura, E Verschell, JRD Copley, T Head-Gordon
The Journal of Physical Chemistry B 108 (51), 19885-19893, 2004
662004
Dielectric relaxation of aqueous solutions of hydrophilic versus amphiphilic peptides
RK Murarka, T Head-Gordon
The Journal of Physical Chemistry B 112 (1), 179-186, 2008
452008
Aqueous peptides as experimental models for hydration water dynamics near protein surfaces
C Malardier-Jugroot, ME Johnson, RK Murarka, T Head-Gordon
Physical Chemistry Chemical Physics 10 (32), 4903-4908, 2008
452008
Theory and practice of coarse-grained molecular dynamics of biologically important systems
A Liwo, C Czaplewski, AK Sieradzan, AG Lipska, SA Samsonov, ...
Biomolecules 11 (9), 1347, 2021
372021
Isomerization dynamics in viscous liquids: Microscopic investigation of the coupling and decoupling of the rate to and from solvent viscosity and dependence on the …
RK Murarka, S Bhattacharyya, R Biswas, B Bagchi
The Journal of chemical physics 110 (15), 7365-7375, 1999
321999
Diffusion and viscosity in a supercooled polydisperse system
RK Murarka, B Bagchi
Physical Review E 67 (5), 051504, 2003
292003
Activation of corticotropin-releasing factor 1 receptor: insights from molecular dynamics simulations
R Singh, N Ahalawat, RK Murarka
The Journal of Physical Chemistry B 119 (7), 2806-2817, 2015
252015
Single particle and collective hydration dynamics for hydrophobic and hydrophilic peptides
RK Murarka, T Head-Gordon
The Journal of chemical physics 126 (21), 2007
252007
Diffusion of small light particles in a solvent of large massive molecules
RK Murarka, S Bhattacharyya, B Bagchi
The Journal of chemical physics 117 (23), 10730-10738, 2002
192002
Conformational changes and allosteric communications in human serum albumin due to ligand binding
N Ahalawat, RK Murarka
Journal of Biomolecular Structure and Dynamics 33 (10), 2192-2204, 2015
152015
Local composition fluctuations in strongly nonideal binary mixtures
RK Murarka, B Bagchi
The Journal of chemical physics 117 (3), 1155-1165, 2002
112002
Molecular Insights into Phosphorylation-Induced Allosteric Conformational Changes in a β2-Adrenergic Receptor
MK Madhu, A Debroy, RK Murarka
The Journal of Physical Chemistry B 126 (9), 1917-1932, 2022
102022
Polyunsaturated fatty acid modulates membrane-bound monomeric α-synuclein by modulating membrane microenvironment through preferential interactions
M Manna, RK Murarka
ACS Chemical Neuroscience 12 (4), 675-688, 2021
82021
Structural ensemble of CD4 cytoplasmic tail (402–419) reveals a nearly flat free-energy landscape with local α-helical order in aqueous solution
N Ahalawat, S Arora, RK Murarka
The Journal of Physical Chemistry B 119 (34), 11229-11242, 2015
82015
Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone
RK Murarka, A Liwo, HA Scheraga
The Journal of chemical physics 127 (15), 2007
82007
Pair dynamics in a glass-forming binary mixture: Simulations and theory
RK Murarka, B Bagchi
Physical Review E 67 (4), 041501, 2003
62003
Heterogeneous relaxation in supercooled liquids: A density functional theory analysis
RK Murarka, B Bagchi
The Journal of Chemical Physics 115 (12), 5513-5520, 2001
52001
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