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Discovering Free Energy Basins for Macromolecular Systems via Guided Multiscale Simulation
An approach for the automated discovery of low free energy states of macromolecular systems is presented. The method does not involve delineating the entire free energy landscape but proceeds in a sequential free energy minimizing state discovery, i.e., it first discovers one low free energy state a...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2012
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3408247/ https://ncbi.nlm.nih.gov/pubmed/22423635 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp2126174 |
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