Improved approach for proteochemometrics modeling: application to organic compound - amine G protein-coupled receptor interactions

@article{Lapinsh2005ImprovedAF,
  title={Improved approach for proteochemometrics modeling: application to organic compound - amine G protein-coupled receptor interactions},
  author={Maris Lapinsh and Peteris Prusis and Staffan Uhl{\'e}n and Jarl E. S. Wikberg},
  journal={Bioinformatics},
  year={2005},
  volume={21 23},
  pages={4289-96}
}
MOTIVATION Proteochemometrics is a novel technology for the analysis of interactions of series of proteins with series of ligands. We have here customized it for analysis of large datasets and evaluated it for the modeling of the interaction of psychoactive organic amines with all the five known families of amine G protein-coupled receptors (GPCRs). RESULTS The model exploited data for the binding of 22 compounds to 31 amine GPCRs, correlating chemical descriptions and cross-descriptions of… CONTINUE READING