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Absolute Binding Free Energy Calculations: On the Accuracy of Computational Scoring of Protein-ligand Interactions
Calculating the absolute binding free energies is a challenging task. Reliable estimates of binding free energies should provide a guide for rational drug design. It should also provide us with deeper understanding of the correlation between protein structure and its function. Further applications m...
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Main Authors: | , |
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Formato: | Artigo |
Idioma: | Inglês |
Publicado em: |
2010
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Assuntos: | |
Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2868600/ https://ncbi.nlm.nih.gov/pubmed/20186976 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.22687 |
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