Compound Ranking Based on Fuzzy Three-Dimensional Similarity Improves the Performance of Docking into Homology Models of G-Protein-Coupled Receptors

[Image: see text] Ligand docking into homology models of G-protein-coupled receptors (GPCRs) is a widely used approach in computational compound screening. The generation of “double-hypothetical” models of ligand–target complexes has intrinsic accuracy limitations that further complicate compound ra...

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Detalles Bibliográficos
Autores principales: Anighoro, Andrew, Bajorath, Jürgen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2017
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6044689/
https://www.ncbi.nlm.nih.gov/pubmed/30023670
http://dx.doi.org/10.1021/acsomega.7b00330

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6044689/
https://www.ncbi.nlm.nih.gov/pubmed/30023670
http://dx.doi.org/10.1021/acsomega.7b00330

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