33 citations · 35 across the 9 of their papers we have counts for
4 papers · 1 filter
Evidence for Bound and Free Water Species in the Hydration Shell of an Aqueous Micelle
Sundaram Balasubramanian, Subrata Pal, Biman Bagchi
Our atomistic molecular dynamics simulations reveal the existence of bound and free water molecules in the hydration layer of an aqueous micelle. The bound water molecules can be e…
Origin of the Sub-diffusive Behavior and Crossover From a Sub-diffusive to a Super-diffusive Dynamics Near a Biological Surface
Arnab Mukherjee, Biman Bagchi
Diffusion of a tagged particle near a constraining biological surface is examined numerically by modeling the surface-water interaction by an effective potential. The effective pot…
Contact Pair Dynamics During Folding of a Model Globular Protein, Hp-36
Arnab Mukherjee, Biman Bagchi
The dynamics of contact pair formation between various hydrophobic residues during folding of a model protein Hp-36 is investigated by Brownian dynamics simulation. Hydropathy scal…
Molecular Dynamics Simulation of Vibrational Phase Relaxation along the Critical Isochore of Nitrogen : The Role of Local Density Fluctuations
Swapan Roychowdhury, Biman Bagchi
Vibrational dephasing of nitrogen molecule is known to show highly interesting anomalies near its gas-liquid critical point. Here we present theoretical and computational studies o…