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Predicting binding free energies: Frontiers and benchmarks
Binding free energy calculations based on molecular simulations provide predicted affinities for biomolecular complexes. These calculations begin with a detailed description of a system, including its chemical composition and the interactions between its components. Simulations of the system are the...
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| Publicado no: | Annu Rev Biophys |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2017
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5544526/ https://ncbi.nlm.nih.gov/pubmed/28399632 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1146/annurev-biophys-070816-033654 |
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