Modeling the expansion of virtual screening libraries
Modeling the expansion of virtual screening libraries
About this item
Full title
Author / Creator
Publisher
New York: Nature Publishing Group US
Journal title
Language
English
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Publisher
New York: Nature Publishing Group US
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Scope and Contents
Contents
Recently, ‘tangible’ virtual libraries have made billions of molecules readily available. Prioritizing these molecules for synthesis and testing demands computational approaches, such as docking. Their success may depend on library diversity, their similarity to bio-like molecules and how receptor fit and artifacts change with library size. We comp...
Alternative Titles
Full title
Modeling the expansion of virtual screening libraries
Authors, Artists and Contributors
Author / Creator
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Record Identifier
TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_10243288
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_10243288
Other Identifiers
ISSN
1552-4450
E-ISSN
1552-4469
DOI
10.1038/s41589-022-01234-w
