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Continuum Molecular Simulation of Large Conformational Changes during Ion–Channel Gating

A modeling framework was developed to simulate large and gradual conformational changes within a macromolecule (protein) when its low amplitude high frequency vibrations are not concerned. Governing equations were derived as alternative to Langevin and Smoluchowski equations and used to simulate gat...

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Detalles Bibliográficos
Autores principales: Nekouzadeh, Ali, Rudy, Yoram
Formato: Texto
Lenguaje:English
Publicado: Public Library of Science 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3098872/
https://www.ncbi.nlm.nih.gov/pubmed/21625456
http://dx.doi.org/10.1371/journal.pone.0020186