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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...
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| Udgivet i: | Sci Rep |
|---|---|
| Main Authors: | , , , , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Nature Publishing Group
2016
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| Fag: | |
| Online adgang: | 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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