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Enhanced unbiased sampling of protein dynamics using evolutionary coupling information
One of the major challenges in atomistic simulations of proteins is efficient sampling of pathways associated with rare conformational transitions. Recent developments in statistical methods for computation of direct evolutionary couplings between amino acids within and across polypeptide chains hav...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5629199/ https://www.ncbi.nlm.nih.gov/pubmed/28983093 http://dx.doi.org/10.1038/s41598-017-12874-7 |