Recent applications of boxed molecular dynamics: a simple multiscale technique for atomistic simulations

In this paper, we briefly review the boxed molecular dynamics (BXD) method which allows analysis of thermodynamics and kinetics in complicated molecular systems. BXD is a multiscale technique, in which thermodynamics and long-time dynamics are recovered from a set of short-time simulations. In this...

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Detalles Bibliográficos
Autores principales: Booth, Jonathan, Vazquez, Saulo, Martinez-Nunez, Emilio, Marks, Alison, Rodgers, Jeff, Glowacki, David R., Shalashilin, Dmitrii V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society Publishing 2014
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4084527/
https://www.ncbi.nlm.nih.gov/pubmed/24982247
http://dx.doi.org/10.1098/rsta.2013.0384

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4084527/
https://www.ncbi.nlm.nih.gov/pubmed/24982247
http://dx.doi.org/10.1098/rsta.2013.0384

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