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BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-energy Calculations
Quantifying protein-ligand binding has attracted the attention of both theorists and experimentalists for decades. Many methods for estimating binding free energies in silico have been reported in recent years. Proper use of the proposed strategies requires, however, adequate knowledge of the protei...
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| Publicado no: | J Chem Inf Model |
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| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5869121/ https://ncbi.nlm.nih.gov/pubmed/29405709 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.7b00695 |
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