Soumi Das

In-silico studies on structural and thermodynamics basis of interaction of lac repressor protein binding to different DNA operators

This study investigates how the lac repressor protein interacts with two different DNA operators through structural and dynamic changes using molecular modeling and simulations.

In-silico studies on thermodynamics of ligand binding to Fluoride riboswitch aptamer

This paper investigates the conformational stability of the Fluoride riboswitch aptamer in holo and apo forms using molecular dynamics and docking, identifying regions involved in ligand binding and potential non-cognate ligand interactions.