MacroModel

Versatile, full-featured program for molecular modeling

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

  •   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
  •   Ghosh, K.; Sen, T., "(rac)-1,1'-binaphthyl-based simple receptors designed for fluorometric discrimination of maleic and fumaric acids," J. Phys. Chem. B, 2011, 115, 8597-608
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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