Induced Fit

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

Below are selected publications from 2006; please check here to cite the use of Induced Fit

  •   Maeda, K.; Das, D.; Ogata-Aoki, H.; Nakata, H.; Miyakawa, T.; Tojo, Y.; Norman, R.; Takaoka, Y.; Ding, J.; Arnold, G. F.; Arnold, E.; Mitsuya, H., "Structural and Molecular Interactions of CCR5 Inhibitors with CCR5," J. Biol. Chem., 2006, 281, 2688-12698
  •   ö  Farid, R.; Day, T.; Friesner, R. A.; Pearlstein, R. A., "New insights about HERG blockade obtained from protein modeling, potential energy mapping, and docking studies," Bioorg. & Med. Chem., 2006, 14, 3160-3173
  •   Forouhar, F.; Hussain, M.; Farid, R.; Benach, J.; Abashidze, M.; Edstrom, W. C.; Vorobiev, S. M.; Xiao, R.; Acton, T. B.; Fu, Z.; Kim, J. J.; Miziorko, H. M.; Montelione, G. T.; Hunt, J. F., "Crystal Structures of Two Bacterial HMG-CoA Lyases suggest a common catalytic mechanism among a family of TIM-Barrel Mettalloenyzmes Cleaving Carbon-Carbon Bonds," J. Biol. Chem., 2006, 281, 7533-7545
  •   ö  Sherman, W.; Day, T.; Jacobson, M. P.; Friesner, R. A.; Farid, R., "Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects," J. Med. Chem., 2006, 49, 534-553
  •   ö  Sherman, W.; Beard, H. S.; Farid, R., "Use of an Induced Fit Receptor Structure in Virtual Screening," Chemical Biology & Drug Design, 2006, 67, 83-84
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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