Debayan Chakraborty

The paper introduces SOP-Multi-π, a coarse-grained model with rescaled aromatic interactions to better simulate IDPs and their phase behavior in condensates.

This paper uses the TIS-DNA model to study DNA hairpin folding, showing it quantitatively describes thermodynamics and recapitulates kinetic features like multiple pathways.

This study uses molecular dynamics simulations to analyze how glycosylation affects the free energy landscape of HCA IX's catalytic domain in monomeric and dimeric forms, revealing increased landscape complexity with glycosylation.

This paper uses molecular dynamics simulations to show how different antimicrobial peptides alter membrane mechanical properties in a dose-dependent manner, with structured peptides causing greater softening than disordered ones.