Machine Learning of Biomolecular Reaction Coordinates
Author:
Affiliation:
1. Biomolecular Dynamics, Institute of Physics, Albert Ludwigs University, 79104 Freiburg, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.8b00759
Reference39 articles.
1. Reaction coordinates of biomolecular isomerization
2. Computing time scales from reaction coordinates by milestoning
3. Reaction coordinates and rates from transition paths
4. Diffusive reaction dynamics on invariant free energy profiles
5. Transition-Path Theory and Path-Finding Algorithms for the Study of Rare Events
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