Free Energy Landscapes, Diffusion Coefficients, and Kinetic Rates from Transition Paths-Reference-Cited by-同舟云学术

Free Energy Landscapes, Diffusion Coefficients, and Kinetic Rates from Transition Paths

Published:2022-07-28 Issue:8 Volume:18 Page:4639-4648
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Palacio-Rodriguez Karen¹^ORCID,Pietrucci Fabio¹^ORCID

Affiliation:

1. Muséum National d’Histoire Naturelle, UMR CNRS 7590, Institut de Minéralogie, de Physique des Matériaux et de Cosmochimie, IMPMC, Sorbonne Université, F-75005 Paris, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00324

Reference81 articles.

1. Strategies for the exploration of free energy landscapes: Unity in diversity and challenges ahead

2. Advanced simulation techniques for the thermodynamic and kinetic characterization of biological systems

3. Transition Path Sampling as Markov Chain Monte Carlo of Trajectories: Recent Algorithms, Software, Applications, and Future Outlook

4. Elaborating transition interface sampling methods

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