Function-specific virtual screening for GPCR ligands using a combined scoring method

The ability of scoring functions to correctly select and rank docking poses of small molecules in protein binding sites is highly target dependent, which presents a challenge for structure-based drug discovery. Here we describe a virtual screening method that combines an energy-based docking scoring...

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Detalles Bibliográficos
Autores principales: Kooistra, Albert J., Vischer, Henry F., McNaught-Flores, Daniel, Leurs, Rob, de Esch, Iwan J. P., de Graaf, Chris
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4919634/
https://www.ncbi.nlm.nih.gov/pubmed/27339552
http://dx.doi.org/10.1038/srep28288

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4919634/
https://www.ncbi.nlm.nih.gov/pubmed/27339552
http://dx.doi.org/10.1038/srep28288

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