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Free energy and kinetics of conformational transitions from Voronoi tessellated milestoning with restraining potentials

Milestoning is a method aimed at reconstructing the statistical properties of the long-time dynamics of a system by exploiting the crossing statistics of a set of hypersurfaces, called the “milestones”, placed along the reaction coordinate [Faradjian and Elber, J. Chem. Phys. 2004, 120, 10880]. Rece...

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Main Authors: Maragliano, Luca, Vanden-Eijnden, Eric, Roux, Benoît
Formato: Artigo
Idioma:Inglês
Publicado: 2009
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Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC2846710/
https://ncbi.nlm.nih.gov/pubmed/20354583
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct900279z
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