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cs.LG2026
Scalable Spatio-Temporal SE(3) Diffusion for Long-Horizon Protein Dynamics
Nima Shoghi, Yuxuan Liu, Yuning Shen +3
Molecular dynamics (MD) simulations remain the gold standard for studying protein dynamics, but their computational cost limits access to biologically relevant timescales. Recent g…
cs.LG2025
ConfRover: Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression
Yuning Shen, Lihao Wang, Huizhuo Yuan +3
Understanding protein dynamics is critical for elucidating their biological functions. The increasing availability of molecular dynamics (MD) data enables the training of deep gene…