Kinetics from Metadynamics: Principles, Applications, and Outlook
Author:
Affiliation:
1. Atomistic Simulations, Italian Institute of Technology, Via Enrico Melen 83, 16152 Genova, Italy
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00660
Reference155 articles.
1. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
2. Escaping free-energy minima
3. Izrailev, S.; Stepaniants, S.; Isralewitz, B.; Kosztin, D.; Lu, H.; Molnar, F.; Wriggers, W.; Schulten, K. Computational Molecular Dynamics: Challenges, Methods. Ideas; 1998; p 39.
4. Calculating free energies using average force
5. Replica-exchange molecular dynamics method for protein folding
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