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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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Vydáno v:J Med Chem
Hlavní autoři: Irwin, John J., Shoichet, Brian K.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2016
Témata:
On-line přístup: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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