Below are selected publications from 2007; please check here to cite the use of LigPrep
- • Bortolato, A.; Moro, S., "In silico binding free energy predictability by using the linear interaction energy (LIE) method: bromobenzimidazole CK2 inhibitors as a case study," J. Chem. Info. Model., 2007, 47, 572-582
- • 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.; Gil, "Dihydropyridopyrazinones and Dihydropteridinones as Corticotropin-Releasing Factor-1 Receptor Antagonists: Structure-Activity Relationships and Computational Modeling," J. Med. Chem., 2007, 50, 2269-2272
- • Siddiquee, K.; Zhang, S.; Guida, W.C.; Blaskovich, M.A.; Greedy, B.; Lawrence, H.R.; Yip, M.L.; Jove, R.; McLaughlin, M.M.; Lawrence, N.J.; Sebti, S.M.; Turkson J., "Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity," Proc. Natl. Acad. Sci., 2007, 104, 7391–7396
- • Gadakar, P.K.; Phukan, S.; Dattatreya, P.; Balaji, V.N., "Pose prediction accuracy in docking studies and enrichment of actives in the active site of GSK-3β ," J. Chem. Inf. Model. , 2007, 47, 1446-1459
- ö indicates papers (co)authored by Schrödinger scientist(s).