Perspectives on High-Throughput Ligand/Protein Docking With Martini MD Simulations.

Souza, Paulo C T; Limongelli, Vittorio; Wu, Sangwook; Marrink, Siewert J; Monticelli, Luca

Souza, Paulo C T; Limongelli, Vittorio; Wu, Sangwook; Marrink, Siewert J; Monticelli, Luca.

Afiliación

Souza PCT; Groningen Biomolecular Sciences and Biotechnology Institute and Zernike Institute for Advanced Materials, University of Groningen, Groningen, Netherlands.
Limongelli V; PharmCADD, Busan, South Korea.
Wu S; Molecular Microbiology and Structural Biochemistry (MMSB, UMR 5086), CNRS, University of Lyon, Lyon, France.
Marrink SJ; Faculty of Biomedical Sciences, Institute of Computational Science, Università della Svizzera Italiana (USI), Lugano, Switzerland.
Monticelli L; Department of Pharmacy, University of Naples "Federico II", Naples, Italy.

Front Mol Biosci ; 8: 657222, 2021.

Article en En | MEDLINE | ID: mdl-33855050

Palabras clave

Martini; coarse-grain; drug design; dynamic docking; high-throughput screening; ligand-protein; molecular dynamics; protein-protein interaction

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Tipo de estudio: Prognostic_studies Idioma: En Revista: Front Mol Biosci Año: 2021 Tipo del documento: Article País de afiliación: Países Bajos Pais de publicación: Suiza

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google