
Spectral map can learn a single slow collective variable that accurately captures the essential characteristics of the protein folding process, including metastable states and rare transitions, while exhibiting Markovian dynamics.


coremsg

spectral-map-for-learning-slow-collective-variables-and-transition-state-ensembles-in-molecular-dynamics


Spectral Map for Learning Slow Collective Variables and Transition State Ensembles in Molecular Dynamics
