Below are recently published papers highlighting applications using Schrödinger software:
Shelley, J.C.; Cholleti, A.;
Frye, L; Greenwood, J.R.; Timlin, M.R.; Uchimaya, M. "Epik: a software
program for pK a prediction and protonation state generation for
drug-like molecules," J. Comp.-Aided Mol. Design, 2007, 21, 681-691.
Kim,
Y.A.; Sharon, A.; Chu, C.K.; Rais, R.H.; Al Safarjalani, O.N.; Naguib,
F.N.M.; el Kouni, M.H. "Synthesis, biological evaluation and molecular
modeling studies of N-6-benzyladenosine analogues as potential
anti-toxoplasma agents," Biochem. Pharmacol., 2007, 73, 1558-1572.
Salam,
N.K.; Huang, T.H.; Kota, B.P.; Kim, M.S.; Li, Y.; Hibbs, D.E. "Novel
PPAR-gamma agonists identified from a natural product library: A
virtual screening, induced-fit docking and biological assay study," Chem. Biol. Drug Des., 2008, 71, 57-70.
Dzierba,
C.; Tebben, A., Wilde, R.; Takvorian, A.; Rafalski, M.;
Kasireddy-Polam, P.; Klaczkiewicz, J.D.; Pechulis, A.D.; Davis, A.L.;
Sweet, M.P.; Woo, A.M.; Yang, Z.; Ebeltoft, S.M.; Molski, T.F.; Zhang,
G.; Zaczek, R.C.; Trainor, G.L.; Combs, A.P.; Gilligan, P.J.
"Dihydropyridopyrazinones and Dihydropteridinones as
Corticotropin-Releasing Factor-1 Receptor Antagonists:
Structure-Activity Relationships and Computational Modeling," J. Med. Chem., 2007, 50, 2269-2272.
Halgren, T., "New Method for Fast and Accurate Binding-site Identification and Analysis," Chem. Biol. Drug Des., 2007, 69, 146-148.
