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The Binding Energy Distribution Analysis Method (BEDAM) for the Estimation of Protein-Ligand Binding Affinities

The Binding Energy Distribution Analysis Method (BEDAM) for the computation of receptor-ligand standard binding free energies with implicit solvation is presented. The method is based on a well established statistical mechanics theory of molecular association. It is shown that, in the context of imp...

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Detalhes bibliográficos
Main Authors: Gallicchio, Emilio, Lapelosa, Mauro, Levy, Ronald M.
Formato: Artigo
Idioma:Inglês
Publicado em: 2010
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2992355/
https://ncbi.nlm.nih.gov/pubmed/21116484
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct1002913
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