QSite

A high-performance QM/MM program

Below are selected publications from 2008; please check here to cite the use of QSite

  •   Bembenek, S.D.; Keith, J.M.; Letavic, M.A.; Apodaca, R.; Barbier, A.J.; Dvorak, L.; Aluisio, L.; Miller, K.L.; Lovenberg, T.W.; Carruthers, N.I., "Lead identification of acetylcholinesterase inhibitors–histamine H3 receptor antagonists from molecular modeling," Bioorg. & Med. Chem., 2008, 16, 2968-2973
  •   Fischmann, T.O.; Hruza, A.; Duca, J.S.; Ramanathan, L.; Mayhood, T.; Windsor, W.T.; Le, H.V.; Guzi, T.J.; Dwyer, M.P.; Paruch, K.; Doll, R.J.; Lees, E.; Parry, D.; Seghezzi, W.; Madison, V., "Structure-guided discovery of cyclin-dependent kinase inhibitors," Biopolymers, 2008, 89, 372-379
  • ö indicates papers (co)authored by Schrödinger scientist(s).
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