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GPCR 3D homology models for ligand screening: lessons learned from blind predictions of adenosine A2a receptor complex

Academic Article
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Overview

authors

  • Katritch, Vsevolod
  • Rueda, M.
  • Lam, P. C. H.
  • Yeager, Mark
  • Abagyan, R.

publication date

  • January 2010

journal

  • Proteins-Structure Function and Bioinformatics  Journal

subject areas

  • Adenosine A2 Receptor Agonists
  • Adenosine A2 Receptor Antagonists
  • Amino Acid Sequence
  • Binding Sites
  • Drug Design
  • Humans
  • Ligands
  • Models, Molecular
  • Molecular Sequence Data
  • Protein Binding
  • Receptor, Adenosine A2A
  • Sequence Alignment
  • Structural Homology, Protein
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Research

keywords

  • G-protein
  • GPCR structure
  • adenosine receptor
  • antagonist
  • flexible docking
  • homology model
  • ligand guided optimization
  • normal mode analysis
  • subtype selectivity
  • virtual screening
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Identity

PubMed Central ID

  • PMC2805832

International Standard Serial Number (ISSN)

  • 0887-3585

Digital Object Identifier (DOI)

  • 10.1002/prot.22507

PubMed ID

  • 20063437
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Additional Document Info

start page

  • 197

end page

  • 211

volume

  • 78

issue

  • 1

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