Virtual Screen for Ligands of Orphan G Protein-Coupled Receptors

@article{Bock2005VirtualSF,
  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},
  year={2005},
  volume={45 5},
  pages={1402-14}
}
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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