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Using Local States To Drive the Sampling of Global Conformations in Proteins
[Image: see text] Conformational changes associated with protein function often occur beyond the time scale currently accessible to unbiased molecular dynamics (MD) simulations, so that different approaches have been developed to accelerate their sampling. Here we investigate how the knowledge of ba...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2016
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5356493/ https://www.ncbi.nlm.nih.gov/pubmed/26808351 http://dx.doi.org/10.1021/acs.jctc.5b00992 |