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Exploring Ion Permeation Energetics in Gramicidin A Using Polarizable Charge Equilibration Force Fields
All-atom molecular dynamics simulations have been applied in the recent past to explore the free energetics underlying ion transport processes in biological ion channels. Roux and co-workers, Kuyucak and coworkers, Busath and coworkers, and others have performed rather elegant and extended timescale...
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| Главные авторы: | , , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
2009
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2818143/ https://ncbi.nlm.nih.gov/pubmed/19788320 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja902903m |
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