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Structure-Based Discovery of Novel Chemotypes for Adenosine A(2A) Receptor Antagonists

The recent progress in crystallography of G-protein coupled receptors opens an unprecedented venue for structure-based GPCR drug discovery. To test efficiency of the structure-based approach, we performed molecular docking and virtual ligand screening (VLS) of more than 4 million commercially availa...

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Hlavní autoři: Katritch, Vsevolod, Jaakola, Veli-Pekka, Lane, J.Robert, Lin, Judy, IJzerman, Adriaan P., Yeager, Mark, Kufareva, Irina, Stevens, Raymond C., Abagyan, Ruben
Médium: Artigo
Jazyk:Inglês
Vydáno: 2010
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On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2826142/
https://ncbi.nlm.nih.gov/pubmed/20095623
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm901647p
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