List Of Publications
 
"Effects of protein stabilizing and destabilizing osmolytes on a model salt-bridge: A quantum chemical study"
(Submitted)
M. K. Tiwari and Rajesh K Murarka
"Characterization of conformational ensemble of C-terminally truncated alpha-synuclein in aqueous solution by atomistic molecular dynamics simulations"
Journal of the Indian Chemical Society, 96(7), pp.991-1002 (2019) (invited article for the special issue on Theorerical and Computational Chemistry).
Moutusi Manna and Rajesh K Murarka
"Molecular Mechanism of Nucleotide-Dependent Allosteric Regulation in AMP-Activated Protein Kinase"
Journal of Physical Chemistry B, 121: 2919-2930 (2017).
Navjeet Ahalawat and Rajesh K Murarka
"Structural Ensemble of CD4 Cytoplasmic Tail (402‐419) Reveals a Nearly Flat Free-Energy Landscape with Local α-Helical Order in Aqueous Solution"
Journal of Physical Chemistry B (Biman Bagchi Festschrift), 119: 11229-11242 (2015).
Navjeet Ahalawat, Simran Arora and Rajesh K Murarka
"Activation of Corticotropin-Releasing Factor 1 Receptor: Insights from Molecular Dynamics Simulations"
Journal of Physical Chemistry B, 119: 2806-2817 (2015).
Rajesh Singh, Navjeet Ahalawat and Rajesh K Murarka
"Conformational changes and allosteric communications in human serum albumin due to ligand binding"
Journal of Biomolecular Structure and Dynamics,33: 2192-2204 (2015)
Navjeet Ahalawat and Rajesh K Murarka
"On the role of solvent in protein dynamical transition: A Molecular Dynamics Simulation Study"
(To Be Submitted)
Navjeet Ahalawat and Rajesh K Murarka
"Simulation of protein structure and dynamics with the coarse-grained UNRES force field", in "Coarse-Graining of Condensed Phase and Biomolecular Systems"
Taylor and Francis Publ., pp. 107-122 (2009).
A. Liwo, C. Czaplewski, S. Oldziej, A. V. Rojas, R. Kazmierkiewicz, M. Makowski, Rajesh K Murarka , and Harold A. Scheraga.
"Hydration water dynamics near biological surfaces"
Journal of Physical Chemistry B, 113: 4082-4092 (2009).
Margaret E. Johnson, C. Malardier-Jugroot, Rajesh K Murarka , and Teresa HeadGordon.
"Aqueous peptides as experimental models for hydration water dynamics near protein surfaces"
Physical Chemistry Chemical Physics, 10: 4903-4908 (2008).
C. Malardier-Jugroot, Margaret E. Johnson, Rajesh K Murarka, and Teresa HeadGordon.
"Dielectric relaxation of aqueous solutions of hydrophilic versus amphiphilic peptides"
Journal of Physical Chemistry B, 112: 179-186 (2008).
Rajesh K Murarka and Teresa HeadGordon.
"Mesoscopic dynamics with the UNRES force field - a tool for studying the kinetics and thermodynamics of protein folding", in "From Computational Biophysics to Systems Biology"
edited by U. H. E. Hansmann, John von Neumann Institute of Computing, Julich, NIC Series, 36: 31-36 (2007).
A. Liwo, C. Czaplewski, S. Oldziej, M. Chinchio, A. V. Rojas, M. Khalili, M. Makowski, S. Kalinowski, U. Kozlowska, Rajesh K Murarka, and Harold A. Scheraga.
"Separation of time scale and coupling in the motion governed by the coarse-grained and fine degrees of freedom in a polypeptide backbone"
Journal of Chemical Physics, 127: 155103(1-16) (2007).
Selected for Virtual Journal of Biological Physics Research, 14 (9) (2007).
Rajesh K Murarka , Adam Liwo and Harold A. Scheraga.
"Single-particle and collective hydration dynamics for hydrophobic and hydrophilic peptides"
Journal of Chemical Physics 126: 215101 (2007).
Selected for Virtual Journal of Biological Physics Research, 13 (12) (2007); one of the top 20 most downloaded research articles published in Journal of Chemical Physics during the month of June 2007.
Rajesh K Murarka and Teresa HeadGordon.
"Molecular view of water dynamics near model peptides"
Journal of Physical Chemistry B, 109: 12966-12975 (2005).
Daniela Russo, Rajesh K Murarka, John R. D. Copley and Teresa HeadGordon.
"Evidence of anomalous hydration dynamics near a model hydrophobic peptide"
Journal of Physical Chemistry B, 108: 19885-19893 (2004).
Rajesh K Murarka, Daniela Russo, Greg Hura, Elizabeth Verschell, John R. D. Copley and Teresa HeadGordon.
"Diffusion and viscosity in a supercooled polydisperse system"
Physical Review E, 67: 051504 (2003).
Rajesh K Murarka and Biman Bagchi.
"Pair dynamics in a glass forming binary mixture: Simulations and theory"
Physical Review E, 67: 041501 (2003).
Rajesh K Murarka and Biman Bagchi.
"Diffusion of small light particles in a solvent of large massive molecules"
Journal of Chemical Physics, 117: 10730-10738 (2002).
Rajesh K Murarka, Sarika Bhattacharyya, and Biman Bagchi.
"Local composition fluctuations in strongly nonideal binary mixtures"
Journal of Chemical Physics, 117: 1155-1165 (2002).
Rajesh K Murarka and Biman Bagchi.
"Heterogeneous relaxation in supercooled liquids: A density functional theory analysis"
Journal of Chemical Physics, 115: 5513- 5520 (2001).
Rajesh K Murarka and Biman Bagchi.
"Isomerization dynamics in viscous liquids: Microscopic investigation of the coupling and decoupling of the rate to and from solvent viscosity and dependence on the intermolecular potential"
Journal of Chemical Physics, 110: 7365-7375 (1999).
Rajesh K Murarka, Sarika Bhattacharyya, Ranjit Biswas, and Biman Bagchi.