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Milestoning without a Reaction Coordinate
Milestoning is a method for calculating kinetics and thermodynamics of long time processes typically not accessible for straightforward Molecular Dynamics (MD) simulation. In the Milestoning approach, the system of interest is partitioned into cells by dividing hypersurfaces (Milestones) and transit...
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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2010
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2892875/ https://ncbi.nlm.nih.gov/pubmed/20596240 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct100114j |
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