Manish Gupta

This study uses molecular dynamics simulations to show that IN-RNA filaments guide HIV-1 capsid assembly and shape, with octameric filaments forming more conical capsids than tetrameric ones.

This paper develops a computational model to simulate HIV-1 capsid rupture during reverse transcription and shows how capsid-DNA interactions drive distinct rupture pathways.

This study uses molecular simulations to show that lenacapavir disrupts HIV-1 capsid assembly by altering hexamer/pentamer ratios and impairing RNA encapsidation.

This study shows IP6 binding influences the kinetic switch of the HIV-1 capsid's TVGG motif between coil and helix conformations, essential for pentamer formation.