Shape Screening

A fast and efficient tool for shape-based superposition and similarity searching

Below are selected publications from all recent years; please check here to cite the use of Shape Screening

  •   Fu, J.; Si, P.; Zheng, M.; Chen, L.; Shen, X.; Tang, Y.; Li, W., "Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking," Bioorg. Med. Chem. Lett., 2012, 22(22), 6848-6853
  •   ö  Kalid, O.; Warshaviak, D.T.; Shechter, S.; Sherman, W.; Shacham, S.;, "Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors," J. Comput-Aided Mol. Des., 2012, 26, 1217–1228
  •   ö  Sastry, G.M.; Dixon, S.L.; Sherman, W., "Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring," J. Chem. Inf. Model., 2011, 51, 2455-2466
  • ö indicates papers (co)authored by Schrödinger scientist(s).
  • Download Software

    Download the Schrödinger Suite now to try out the software.

    GO
  • Explore the Knowledge Base

    Find more information by searching our Knowledge Base.

    GO
  • Get Support

    Contact our Scientific and Technical Support team.

    GO
  • Product List

    View a complete list of all products.

    GO