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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: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2009
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| Assuntos: | |
| Acesso em linha: | 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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