Guided docking: first step to locate potential binding sites.
Proteins
; 52(1): 28-32, 2003 Jul 01.
Article
em En
| MEDLINE
| ID: mdl-12784364
ABSTRACT
The long-range electrostatic forces of the targets in round 2 of the Critical Assessment of PRediction of Interactions (CAPRI) experiment were examined and a simple guided docking method, based on these forces, was applied. The method described consists of calculating an initial rigid body trajectory and an optional final, fully flexible refinement stage. Although only limited success was found in predicting the final complexes, some interesting information was discovered. In particular, the long-range forces seem to give some insight into the unusual binding mode of target 4 while raising some questions about target 7, which warrant further investigation.
Buscar no Google
Base de dados:
MEDLINE
Assunto principal:
Algoritmos
/
Proteínas
Tipo de estudo:
Evaluation_studies
/
Prognostic_studies
Limite:
Animals
Idioma:
En
Revista:
Proteins
Assunto da revista:
BIOQUIMICA
Ano de publicação:
2003
Tipo de documento:
Article
País de afiliação:
Reino Unido