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Docking Screens for Novel Ligands Conferring New Biology

It is now plausible to dock libraries of 10 million molecules against targets over several days or weeks. When the molecules screened are commercially available, they may be rapidly tested to find new leads. Although docking retains important liabilities (it cannot calculate affinities accurately no...

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Bibliografiske detaljer
Udgivet i:J Med Chem
Main Authors: Irwin, John J., Shoichet, Brian K.
Format: Artigo
Sprog:Inglês
Udgivet: 2016
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4865415/
https://ncbi.nlm.nih.gov/pubmed/26913380
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jmedchem.5b02008
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