Works (1)
Updated: July 5th, 2023 15:37
2016 journal article
Effective Riemannian Diffusion Model for Conformational Dynamics of Biomolecular Systems
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 7(24), 4980–4987.
MeSH headings : Algorithms; Molecular Conformation; Molecular Dynamics Simulation; Protein Conformation
TL;DR:
The presented formalism can be readily employed to modify the collective variable based enhanced sampling techniques, such as umbrella sampling (US) commonly used in biomolecular simulations, to take into account the role of intrinsic geometry of collective variable space.
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