Limits of Ligand Selectivity from Docking to Models: In Silico Screening for A(1) Adenosine Receptor Antagonists

G protein-coupled receptors (GPCRs) are attractive targets for pharmaceutical research. With the recent determination of several GPCR X-ray structures, the applicability of structure-based computational methods for ligand identification, such as docking, has increased. Yet, as only about 1% of GPCRs...

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Main Authors: Kolb, Peter, Phan, Khai, Gao, Zhan-Guo, Marko, Adam C., Sali, Andrej, Jacobson, Kenneth A.
Formato: Artigo
Idioma:Inglês
Publicado: Public Library of Science 2012
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Research Article
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC3503826/
https://ncbi.nlm.nih.gov/pubmed/23185482
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0049910
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