Abstract
Several different approaches have been proposed in the last decade to assess the binding affinity of a virtual small molecule ligand to a target protein, particularly with respect to screening large compound databases. Here we review the methods that have been proposed, and discuss techniques for optimizing scoring functions that have been applied in industrial settings.
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© 2004 Humana Press Inc.
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Pick, D. (2004). Novel Scoring Methods in Virtual Ligand Screening. In: Bajorath, J. (eds) Chemoinformatics. Methods in Molecular Biology™, vol 275. Humana Press. https://doi.org/10.1385/1-59259-802-1:439
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DOI: https://doi.org/10.1385/1-59259-802-1:439
Publisher Name: Humana Press
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