Carregant...

A selective method for optimizing ensemble docking-based experiments on an InhA Fully-Flexible receptor model

BACKGROUND: In the rational drug design process, an ensemble of conformations obtained from a molecular dynamics simulation plays a crucial role in docking experiments. Some studies have found that Fully-Flexible Receptor (FFR) models predict realistic binding energy accurately and improve scoring t...

Descripció completa

Guardat en:
Dades bibliogràfiques
Publicat a:BMC Bioinformatics
Autors principals: De Paris, Renata, Vahl Quevedo, Christian, Ruiz, Duncan D., Gargano, Furia, de Souza, Osmar Norberto
Format: Artigo
Idioma:Inglês
Publicat: BioMed Central 2018
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC6013854/
https://ncbi.nlm.nih.gov/pubmed/29929475
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s12859-018-2222-2
Etiquetes: Afegir etiqueta
Sense etiquetes, Sigues el primer a etiquetar aquest registre!