Induced Fit

A novel method for fast and accurate prediction of ligand induced conformational changes in receptor active sites

Below are selected publications from 2011; please check here to cite the use of Induced Fit

  •   Caporuscio, F.; Rastelli, G.; Imbriano, C.; Del Rio, A., "Structure-based design of potent aromatase inhibitors by high-throughput docking," J. Med. Chem., 2011, 54, 4006–4017
  •   Durdagi, S.; Duff, H.J.; Noskov, S.Y., "Combined receptor and ligand-based approach to the universal pharmacophore model development for studies of drug blockade to the hERG1 pore domain," J. Chem. Inf. Model., 2011, 51, 463-74
  •   Du, J.; Sun, H.; Xi, L.; Li, J.; Yang, Y.; Liu, H.; Yao, X., "Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and Prime/MM-GBSA calculation," J. Comp. Chem., 2011, 32(13), 2800-2809
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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