57 citations · 193 across the 14 of their papers we have counts for
4 papers · 1 filter
Cavity Waters Govern Insulin Association and Release: Inferences from Experimental Data and Molecular Dynamics Simulations
Saumyak Mukherjee, Sayantan Mondal, Ashish Anilrao Deshmukh +2
While a monomer of the ubiquitous hormone insulin is the biologically active form in the human body, its hexameric assembly acts as an efficient storage unit. However, the role of…
On the origin of diverse time scales in the protein hydration layer solvation dynamics: A molecular dynamics simulation study
Sayantan Mondal, Saumyak Mukherjee, Biman Bagchi
In order to inquire the microscopic origin of observed multiple time scales in solvation dynamics we carry out several computer experiments. We perform atomistic molecular dynamics…
Distinguishing dynamical features of water inside protein hydration layer: Distribution reveals what is hidden behind the average
Saumyak Mukherjee, Sayantan Mondal, Biman Bagchi
Since the pioneering works of Pethig, Grant and Wuthrich on protein hydration layer, many studies have been devoted to find out if there are any general and universal characteristi…
Dynamical coupling between protein conformational fluctuation and hydration water: Heterogeneous dynamics of biological water
Sayantan Mondal, Saumyak Mukherjee, Biman Bagchi
We investigate dynamical coupling between water and amino acid side-chain residues in solvation dynamics by selecting residues often used as natural probes, namely tryptophan, tyro…