Performance of 3D-database molecular docking studies into homology models.
J Med Chem
; 47(3): 764-7, 2004 Jan 29.
Article
em En
| MEDLINE
| ID: mdl-14736258
ABSTRACT
The performance of docking studies into protein active sites constructed by homology model building was investigated using CDK2 and factor VIIa screening data sets. When the sequence identity between model and template near the binding site area is greater than approximately 50%, roughly 5 times more active compounds are identified than would be found randomly. This performance is comparable to docking to crystal structures.
Buscar no Google
Base de dados:
MEDLINE
Assunto principal:
Fator VII
/
Modelos Moleculares
/
Relação Quantitativa Estrutura-Atividade
/
Quinases relacionadas a CDC2 e CDC28
Tipo de estudo:
Prognostic_studies
Idioma:
En
Revista:
J Med Chem
Assunto da revista:
QUIMICA
Ano de publicação:
2004
Tipo de documento:
Article
País de afiliação:
Estados Unidos