Dheeraj Kumar Sarkar

This study shows that pneumolysin, a bacterial toxin, can damage target cell membranes through vesicle fusion rather than pore formation.

This study uses deep learning and molecular dynamics to show how a single methylation change in Glycocin F drastically reduces its activity by altering its structural dynamics.

TransportTools enables efficient analysis of ligand transport pathways through voids in biomolecules using high-throughput molecular dynamics data.