Catálogo de publicaciones - revistas
Journal of Computer-Aided Molecular Design
Resumen/Descripción – provisto por la editorial en inglés
The Journal of Computer-Aided Molecular Design provides a form for disseminating information on both the theory and the application of computer-based methods in the analysis and design of molecules. The scope of the journal encompasses papers which report new and original research and applications in the following areas: theoretical chemistry;computational chemistry; computer and molecular graphics; molecular modeling;protein engineering; drug design; expert systems; general structure-property relationships; molecular dynamics; chemical database development and usage.Palabras clave – provistas por la editorial
No disponibles.
Disponibilidad
| Institución detectada | Período | Navegá | Descargá | Solicitá |
|---|---|---|---|---|
| No detectada | desde ene. 1997 / hasta dic. 2023 | SpringerLink |
Información
Tipo de recurso:
revistas
ISSN impreso
0920-654X
ISSN electrónico
1573-4951
Editor responsable
Springer Nature
País de edición
Reino Unido
Fecha de publicación
1987-
Cobertura temática
Tabla de contenidos
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations
Luan Carvalho Martins
; Pedro Henrique Monteiro Torres; Renata Barbosa de Oliveira; Pedro Geraldo Pascutti; Elio A. Cino; Rafaela Salgado Ferreira
Palabras clave: Physical and Theoretical Chemistry; Drug Discovery; Computer Science Applications.
Pp. 591-605
Application of target repositioning and in silico screening to exploit fatty acid binding proteins (FABPs) from Echinococcus multilocularis as possible drug targets
Julián A. Bélgamo; Lucas N. Alberca; Jorge L. Pórfido; Franco N. Caram Romero; Santiago Rodriguez; Alan Talevi; Betina Córsico; Gisela R. Franchini
Palabras clave: Physical and Theoretical Chemistry; Computer Science Applications; Drug Discovery.
Pp. 1275-1288
Enabling data-limited chemical bioactivity predictions through deep neural network transfer learning
Ruifeng Liu; Srinivas Laxminarayan; Jaques Reifman; Anders Wallqvist
Palabras clave: Physical and Theoretical Chemistry; Computer Science Applications; Drug Discovery.
Pp. 867-878
Improvement of multi-task learning by data enrichment: application for drug discovery
Ekaterina A. Sosnina; Sergey Sosnin; Maxim V. Fedorov
Palabras clave: Physical and Theoretical Chemistry; Computer Science Applications; Drug Discovery.
Pp. 183-200