Parth Chaturvedi

This study uses molecular dynamics simulations to compare the conformational energetics of Ser195 and Thr195 in thrombin, revealing differences in rotameric states and their impact on catalytic geometry.

This study examines how single-residue substitutions in a mitochondrial localization peptide affect its conformational dynamics, revealing that sequence changes can bias structural ensembles and influence targeting efficiency.

This study uses molecular dynamics simulations to investigate how cholesterol affects planar and curved lipid bilayers, revealing geometry-dependent structural and dynamic changes.