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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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Dettagli Bibliografici
Autori principali: Májek, Peter, Elber, Ron
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2010
Soggetti:
Accesso online: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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