Thermodynamic and Kinetic Characterization of Protein Conformational Dynamics within a Riemannian Diffusion Formalism
C. Goolsby, A. Fakharzadeh, M. Moradi
The paper develops a Riemannian diffusion formalism to characterize protein conformational dynamics, enabling invariant calculations of thermodynamic and kinetic quantities in molecular simulations.
bioRxiv · Jul 26, 2019 · PreprintBiophysics