Thermodynamic and Kinetic Characterization of Protein Conformational Dynamics within a Riemannian Framework
C. Goolsby, A. Fakharzdeh, M. Moradi
This paper introduces a Riemannian framework for molecular dynamics simulations to improve sampling, path-finding, and transition rate estimation in biomolecular systems.
bioRxiv · Jan 19, 2021 · PreprintBiophysics