QM-Polarized Ligand Docking

A novel research solution that combines the power of Glide with the accuracy of QSite

Below are selected publications from 2009; please check here to cite the use of QM-Polarized Ligand Docking

  •   Benltifa, M.; Hayes, J. M.; Vidal, S.; Gueyrard, D.; Goekjian, P. G.; Praly, J.; Kizilis, G.; Tiraidis, C.; Alexacou, K.; Chrysina, E. D.; Zographos, S. E.; Leonidas, D. D.; Archontis, G.; Oikonomakos, N. G., "Glucose-based spiro-isoxazolines: A new family of potent glycogen phosphorylase inhibitors," Bioorg. Med. Chem., 2009, 17, 7368-7380
  •   ö  Cho, A. E.; Rinaldo, D., "Extension of QM/MM docking and its applications to metalloproteins," J. Comput. Chem., 2009, 30, 2609–2616
  •   Chung, J. Y.; Hah, J.; Cho, A. E., "Correlation between Performance of QM/MM Docking and Simple Classification of Binding Sites," J. Chem. Inf. Model., 2009, 49, 2382–2387
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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