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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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| Main Authors: | , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Public Library of Science
2011
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| Fag: | |
| Online adgang: | 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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