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Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation
We introduce various, recently developed, generalized ensemble methods, which are useful to sample various molecular configurations emerging in the process of protein–protein or protein–ligand binding. The methods introduced here are those that have been or will be applied to biomolecular binding, w...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Portland Press Ltd.
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4901360/ https://www.ncbi.nlm.nih.gov/pubmed/27288028 http://dx.doi.org/10.1042/BCJ20160053 |