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Summary: proteinsSTRUCTURE O FUNCTION O BIOINFORMATICS
GPCR 3D homology models for ligand
screening: Lessons learned from blind
predictions of adenosine A2a
receptor complex
Vsevolod Katritch,1
Manuel Rueda,2
Polo Chun-Hung Lam,1
Mark Yeager,3,4
and Ruben Abagyan2
*
1 Molsoft LLC, 3366 N. Torrey Pines Ct., Suite 300, La Jolla, California 92037
2 Department of Molecular Biology, The Scripps Research Institute, La Jolla, California 92037
3 Department of Cell Biology, The Scripps Research Institute, La Jolla, California 92037
4 Department of Molecular Physiology and Biological Physics, University of Virginia Health System, Charlottesville,
Virginia 22908-0736
INTRODUCTION
The current drug discovery process greatly benefits
from analysis of 3D structures of the target receptors and
their interactions with ligands. Application of the struc-
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