Modeling Molecular Kinetics with tICA and the Kernel Trick
Author:
Affiliation:
1. Department of Chemistry, ‡Department of Computer Science, §Department of Structural Biology, and ∥Program in Biophysics, Stanford University, Stanford, California 94305, United States
Funder
Division of Molecular and Cellular Biosciences
National Institute of General Medical Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct5007357
Reference50 articles.
1. Molecular dynamics simulations of biomolecules
2. How Fast-Folding Proteins Fold
3. Markov State Model Reveals Folding and Functional Dynamics in Ultra-Long MD Trajectories
4. Slow Unfolded-State Structuring in Acyl-CoA Binding Protein Folding Revealed by Simulation and Experiment
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