83 citations · 178 across the 7 of their papers we have counts for
4 papers · 1 filter
Reaction-transport coupling drives spatiotemporal organization in fuel-driven supramolecular polymerization
Akta Singh, Nayana Mukherjee, Jagannath Mondal +1
Chemically fueled supramolecular systems provide a versatile platform for generating nonequilibrium structures and dynamical instabilities, including chemical oscillations and trav…
Role of and relaxations in Collapsing Dynamics of a Polymer Chain in Supercooled Glass-forming Liquid
Mrinmoy Mukherjee, Jagannath Mondal, Smarajit Karmakar
Understanding the effect of glassy dynamics on the stability of bio-macromolecules and investigating the underlying relaxation processes governing degradation processes of these ma…
The role of water and steric constraints in the kinetics of cavity-ligand unbinding
Pratyush Tiwary, Jagannath Mondal, Joseph A. Morrone +1
A key factor influencing a drug's efficacy is its residence time in the binding pocket of the host protein. Using atomistic computer simulation to predict this residence time and t…
How hydrophobic drying forces impact the kinetics of molecular recognition
Jagannath Mondal, Joseph A. Morrone, B. J. Berne
A model of protein-ligand binding kinetics in which slow solvent dynamics results from hydrophobic drying transitions is investigated. Molecular dynamics simulations show that solv…