Cargando...

Standard binding free energies from computer simulations: What is the best strategy?

Accurate prediction of standard binding free energies describing protein:ligand association remains a daunting computational endeavor. This challenge is rooted to a large extent in the considerable changes in conformational, translational and rotational entropies underlying the binding process that...

Descrición completa

Gardado en:
Detalles Bibliográficos
Main Authors: Gumbart, James C., Roux, Benoît, Chipot, Christophe
Formato: Artigo
Idioma:Inglês
Publicado: 2012
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3685508/
https://ncbi.nlm.nih.gov/pubmed/23794960
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct3008099
Tags: Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!