Interaction Analysis by Fragment Molecular Orbital Method for Drug Discovery Research.
Chem Pharm Bull (Tokyo)
; 72(9): 787-793, 2024.
Article
en En
| MEDLINE
| ID: mdl-39218703
ABSTRACT
The use of computational methods in drug discovery research has increased substantially in recent years. Computational chemistry techniques, such as quantum chemical calculations and molecular dynamics simulations, continue to be widely used. In this review, we focused on drug discovery-related studies that employ fragment molecular orbital methods. Furthermore, we focused on inhibitor discovery, protein-protein interaction analysis, including antigen-antibody interaction analysis, and integration with molecular dynamics simulations.
Palabras clave
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Asunto principal:
Descubrimiento de Drogas
/
Simulación de Dinámica Molecular
Límite:
Humans
Idioma:
En
Revista:
Chem Pharm Bull (Tokyo)
Año:
2024
Tipo del documento:
Article
Pais de publicación:
Japón