Avijeet Kulshrestha

This study investigates how cardiolipin affects the folding and membrane disruption of the antimicrobial peptide CM15 using simulations and experiments.

This paper uses molecular dynamics simulations to show that the transmembrane domain (TMD) of SARS-CoV-2 spike regulates the kinetics of S2 conformational transitions by modulating TMD dynamics and coupling with S1.

This study shows that host sphingomyelin and cholesterol act as a lipid chaperone to facilitate the conformational changes of the bacterial toxin Cytolysin A, enabling pore formation.

This study uses multiscale simulations to investigate polyglutamine aggregation mechanisms and how the N17 flanking domain influences fibril polymorphism in Huntingtons disease.