The choice of atomic charges calculation scheme in 3D-QSAR modelling of GSK-3β inhibition by paullones

Dokl Biochem Biophys. 2010 Sep-Oct:434:274-8. doi: 10.1134/S1607672910050145. Epub 2010 Oct 20.
No abstract available

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Benzazepines / chemistry
  • Benzazepines / pharmacology*
  • Enzyme Inhibitors / chemistry
  • Enzyme Inhibitors / pharmacology*
  • Glycogen Synthase Kinase 3 / antagonists & inhibitors*
  • Glycogen Synthase Kinase 3 beta
  • Models, Chemical*
  • Quantitative Structure-Activity Relationship

Substances

  • Benzazepines
  • Enzyme Inhibitors
  • paullone
  • Glycogen Synthase Kinase 3 beta
  • Glycogen Synthase Kinase 3