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Implementing and Assessing an Alchemical Method for Calculating Protein–Protein Binding Free Energy
Protein–protein binding is fundamental to most biological processes. It is important to be able to use computation to accurately estimate the change in protein–protein binding free energy due to mutations in order to answer biological questions that would be experimentally challenging, laborious, or...
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| Publié dans: | J Chem Theory Comput |
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| Auteurs principaux: | , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2021
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8044032/ https://ncbi.nlm.nih.gov/pubmed/33709712 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.0c01045 |
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