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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...
Enregistré dans:
| Publié dans: | Sci Rep |
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| Auteurs principaux: | , , , , , |
| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
Nature Publishing Group
2016
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4919634/ https://ncbi.nlm.nih.gov/pubmed/27339552 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep28288 |
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