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Status of GPCR Modeling and Docking as Reflected by Community-wide GPCR Dock 2010 Assessment
 

Summary: Structure
Article
Status of GPCR Modeling and Docking as Reflected
by Community-wide GPCR Dock 2010 Assessment
Irina Kufareva,1 Manuel Rueda,1 Vsevolod Katritch,1,2 GPCR Dock 2010 participants, Raymond C. Stevens,3,*
and Ruben Abagyan1,2,*
1Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA 92039, USA
2San Diego Supercomputer Center, La Jolla, CA 92039, USA
3Department of Molecular Biology, The Scripps Research Institute, La Jolla, CA 92037, USA
*Correspondence: stevens@scripps.edu (R.C.S.), rabagyan@ucsd.edu (R.A.)
DOI 10.1016/j.str.2011.05.012
SUMMARY
The community-wide GPCR Dock assessment is
conducted to evaluate the status of molecular
modeling and ligand docking for human G protein-
coupled receptors. The present round of the assess-
ment was based on the recent structures of dopa-
mine D3 and CXCR4 chemokine receptors bound to
small molecule antagonists and CXCR4 with a syn-
thetic cyclopeptide. Thirty-five groups submitted

  

Source: Abagyan, Ruben - School of Pharmacy and Pharmaceutical Sciences, University of California at San Diego

 

Collections: Biology and Medicine