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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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| Autores principales: | , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
Public Library of Science
2011
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3098872/ https://ncbi.nlm.nih.gov/pubmed/21625456 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0020186 |
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