Function-specific virtual screening for GPCR ligands using a combined scoring method
Function-specific virtual screening for GPCR ligands using a combined scoring method
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Publisher
London: Nature Publishing Group UK
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Language
English
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Publisher
London: Nature Publishing Group UK
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Contents
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 function with a molecular interaction fingerprint...
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Full title
Function-specific virtual screening for GPCR ligands using a combined scoring method
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TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_4919634
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_4919634
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ISSN
2045-2322
E-ISSN
2045-2322
DOI
10.1038/srep28288
