Glide

A complete solution for ligand-receptor docking

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

  •   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
  •   Wu, D.; Wang, Q.; Assary, R.S.; Broadbelt, L.J.; Krilov, G., "A computational approach to design and evaluate enzymatic reaction pathways: application to 1-butanol production from pyruvate," J. Chem. Inf. Model, 2011, 51, 1634-47
  •   Yoo, J.; Medina-Franco, J.L., "Homology modeling, docking and structure-based pharmacophore of inhibitors of DNA methyltransferase," J. Comput. Aided Mol. Des., 2011, 25, 555-567
  •   William, A.D.; Lee, A.C.-H.; Blanchard, S.; Poulsen, A.; Teo, E.L.; Nagaraj, H. et al., "Discovery of the macrocycle 11-(2-Pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-Like tyrosine kinase-3 (JAK2/FLT3) Inhibitor for the treatment of myelofibrosis and lymphoma," J. Med. Chem., 2011, 54, 4638-4658
  •   Yoo, J.; Medina-Franco, J.L., "Trimethylaurintricarboxylic Acid Inhibits Human DNA Methyltransferase 1: Insights From Enzymatic and Molecular Modeling Studies," J. Mol. Model., Article ASAP, 2011, 18(4), 1583-1589
  •   Albers, H.M.H.G.; Hendrickx, L.J.D.; van Tol, R.J.P.; Hausmann, J; Perrakis, A.; Ovaa, H., "Structure-based design of novel boronic acid-based inhibitors of autotaxin," J. Med. Chem., 2011, 54, 4619-26
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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