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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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Dades bibliogràfiques
Publicat a:J Chem Inf Model
Autors principals: Fu, Haohao, Gumbart, James C., Chen, Haochuan, Shao, Xueguang, Cai, Wensheng, Chipot, Christophe
Format: Artigo
Idioma:Inglês
Publicat: 2018
Matèries:
Accés en línia: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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