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 | 145 | 2005 |
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 | 75 | 2009 |
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 | 73 | 2008 |
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 | 68 | 2004 |
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 | 46 | 2008 |
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 | 45 | 2008 |
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 | 42 | 2021 |
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 | 35 | 1999 |
Diffusion and viscosity in a supercooled polydisperse system RK Murarka, B Bagchi Physical Review E 67 (5), 051504, 2003 | 30 | 2003 |
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 | 25 | 2015 |
Single particle and collective hydration dynamics for hydrophobic and hydrophilic peptides RK Murarka, T Head-Gordon The Journal of chemical physics 126 (21), 2007 | 25 | 2007 |
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 | 23 | 2002 |
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 | 16 | 2015 |
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 | 11 | 2022 |
Local composition fluctuations in strongly nonideal binary mixtures RK Murarka, B Bagchi Journal of Chemical Physics 117 (3), 1155-1165, 2002 | 11 | 2002 |
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 | 9 | 2021 |
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 | 8 | 2015 |
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 | 8 | 2007 |
Pair dynamics in a glass-forming binary mixture: Simulations and theory RK Murarka, B Bagchi Physical Review E 67 (4), 041501, 2003 | 6 | 2003 |
Heterogeneous relaxation in supercooled liquids: A density functional theory analysis RK Murarka, B Bagchi The Journal of Chemical Physics 115 (12), 5513-5520, 2001 | 5 | 2001 |