16 citations · 28 across the 9 of their papers we have counts for
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physics.bio-ph2024
JAMUN: Bridging Smoothed Molecular Dynamics and Score-Based Learning for Conformational Ensembles
Ameya Daigavane, Bodhi P. Vani, Darcy Davidson +3
Conformational ensembles of protein structures are immensely important both for understanding protein function and drug discovery in novel modalities such as cryptic pockets. Curre…
cs.LG2024★ 2 cited
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
Allan dos Santos Costa, Ilan Mitnikov, Franco Pellegrini +7
Mapping the conformational dynamics of proteins is crucial for elucidating their functional mechanisms. While Molecular Dynamics (MD) simulation enables detailed time evolution of…