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Energetics of Ion Permeation, Rejection, Binding, and Block in Gramicidin A from Free Energy Simulations
The rigid force fields currently used in molecular dynamics (MD) simulations of biomolecules are optimized for globular proteins. Whether they can also be used in MD simulations of membrane proteins is an important issue that needs to be resolved. Here we address this issue using the gramicidin A ch...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Biophysical Society
2006
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1459526/ https://ncbi.nlm.nih.gov/pubmed/16533834 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.105.074633 |
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