Jul 2026
TPS-Flow: Physics-Guided Flow-Based Generative Modeling of Protein Transition Paths.
TPS-Flow is presented, a physics-guided flow-based generative framework for end point-conditioned conformational path sampling between predefined protein states (not equilibrium ensembles), thereby bridging atomistic simulation and deep generative modeling of protein transition paths.
Kai Xu, Likun Zhao, Yanan Tian et al.
· Journal of Chemical Informat... · 0 citations