Virtual Screen for Ligands of Orphan G Protein-Coupled Receptors

  title={Virtual Screen for Ligands of Orphan G Protein-Coupled Receptors},
  author={Joel R. Bock and David A. Gough},
  journal={Journal of chemical information and modeling},
  volume={45 5},
This paper describes a virtual screening methodology that generates a ranked list of high-binding small molecule ligands for orphan G protein-coupled receptors (oGPCRs), circumventing the requirement for receptor three-dimensional structure determination. Features representing the receptor are based only on physicochemical properties of primary amino acid sequence, and ligand features use the two-dimensional atomic connection topology and atomic properties. An experimental screen comprised… CONTINUE READING


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Biochem . Physiol . , Part C : Pharmacol

  • F. Williams, W. Comp. Messer
  • Toxicol . Endocrinol .
  • 2004


  • H. Gohlke, M. Hendlich, G. Klebe
  • Drug Disco V ery Des .
  • 2000

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