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Decoys for Docking

Molecular docking is widely used to predict novel lead compounds for drug discovery. Success depends on the quality of the docking scoring function, among other factors. An imperfect scoring function can mislead by predicting incorrect ligand geometries or by selecting nonbinding molecules over true...

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Hlavní autoři: Graves, Alan P., Brenk, Ruth, Shoichet, Brian K.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2005
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC1557646/
https://ncbi.nlm.nih.gov/pubmed/15916423
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm0491187
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