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Fast Calculation of Protein–Protein Binding Free Energies Using Umbrella Sampling with a Coarse-Grained Model
[Image: see text] Determination of protein–protein binding affinity values is key to understanding various underlying biological phenomena, such as how missense variations change protein–protein binding. Most existing non-rigorous (fast) and rigorous (slow) methods that rely on all-atom representati...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5813277/ https://www.ncbi.nlm.nih.gov/pubmed/29286646 http://dx.doi.org/10.1021/acs.jctc.7b00660 |