Induced Fit

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

Below are selected publications from 2009; please check here to cite the use of Induced Fit

  •   Miller, K.J.; Wu, G.Y.; Varnes, J.G.; Levesque, P.; Li, J.L.; Li, D.S. et al., "Position 5.46 of the Serotonin 5-HT2A Receptor Contributes to a Species-Dependent Variation for the 5-HT2C Agonist (R)-9-Ethyl-1,3,4,10b-tetrahydro-7- trifluoromethylpyrazino[2,1-a]isoindol-6(2H)-one: Impact on Selectivity and Toxicological Evaluation," Mol. Pharmacol., 2009, 76, 1211-1219
  •   Cho, Y.; Yao, K.; Pugliese, A.; Malakhova, M. L.; Bode, A. M.; Dong, Z., "A Regulatory Mechanism for RSK2 NH2-Terminal Kinase Activity, (For computational details, please see Supplemental Materials.)," Cancer Res., 2009, 69, 4398-4406
  •   King, A.R.; Dotsey, E.Y.; Lodola, A.; Jung, K.M.; Ghomian, A.; Qiu, Y.; Fu, J.; Mor, M.; Piomelli, D., "Discovery of Potent and Reversible Monoacylglycerol Lipase Inhibitors," Chem. Biol., 2009, 16, 1045-1052
  •   Zhong, H.; Trana, L.M.; Stang, J.L., "Induced-fit docking studies of the active and inactive states of protein tyrosine kinases," J. Mol. Graphics Modell., 2009, 28, 336-346
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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