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Milestoning with wind: Exploring the impact of a biasing potential in exact calculation of kinetics
We consider the algorithm wind-assisted reweighted Milestoning of Grazioli and Andricioaei [J. Chem. Phys 149(8), 084103 (2018)], expand it, and assess its performance. We derive exact expressions for underdamped and overdamped Langevin dynamics and examine its efficiency for a simple model system (...
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| Publié dans: | J Chem Phys |
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| Auteurs principaux: | , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
AIP Publishing LLC
2020
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7292680/ https://ncbi.nlm.nih.gov/pubmed/32534551 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0011050 |
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