Cargando...

Formal Estimation of Errors in Computed Absolute Interaction Energies of Protein-ligand Complexes

A largely unsolved problem in computational biochemistry is the accurate prediction of binding affinities of small ligands to protein receptors. We present a detailed analysis of the systematic and random errors present in computational methods through the use of error probability density functions,...

Descrición completa

Gardado en:
Detalles Bibliográficos
Main Authors: Faver, John C., Benson, Mark L., He, Xiao, Roberts, Benjamin P., Wang, Bing, Marshall, Michael S., Kennedy, Matthew R., Sherrill, C. David, Merz, Kenneth M.
Formato: Artigo
Idioma:Inglês
Publicado: 2011
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3110077/
https://ncbi.nlm.nih.gov/pubmed/21666841
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct100563b
Tags: Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!