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

• •  Hanoian, P.; Hammes-Schiffer S., "Water in the active site of ketosteroid isomerase," Biochemistry., 2011, 50, 6689-6700
• •  Du, J.; Sun, H.; Xi, L.; Li, J.; Yang, Y.; Liu, H.; Yao, X., "Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and Prime/MM-GBSA calculation," J. Comp. Chem., 2011, 32(13), 2800-2809
• •  Bochevarov, A.D.; Li, J.; Song, W.J.; Friesner, R.A.; Lippard, S.J., "Insights into the different dioxygen activation pathways of methane and toluene monooxygenase hydroxylases," J. Am. Chem. Soc., 2011, 133, 7384-97
• •  Amara, P.; Mouesca, J. M.; Volbeda, A.; Fontecilla-Camps, J.C., "Carbon Monoxide Dehydrogenase Reaction Mechanism: A Likely Case of Abnormal CO2 Insertion to a Ni-H^- Bond," Inorg. Chem., 2011, 50, 1868-1878

• ö indicates papers (co)authored by Schrödinger scientist(s).