Desmond Selected Publications
Selected publications, all recent years:
Hanoian, P.; Hammes-Schiffer S., “Water in the active site of ketosteroid isomerase,” Biochemistry, 2011, 50, 6689-6700.
ö Shivakumar, D.; Williams, J.; Wu, Y.; Damm, W.; Shelley, J.; Sherman, W., "Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field," J. Chem. Theory Comput., 2010, 6, 1509–1519
Guo, Z.; Mohanty, U.; Noehre, J.; Sawyer, T. K.; Sherman, W.; Krilov, G., "Probing the α-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis," Chem. Biol. Drug Des., 2010,75, 348-359
Lyman, E.; Higgs, C.; Kim, B.; Lupyan, D.; Shelley, J. C.; Farid, R.; Voth, G. A., "A Role for a Specific Cholesterol Interaction in Stabilizing the Apo Configuration of the Human A2A Adenosine Receptor," Structure, 2009, 17, 1660-1668
Shan, Y.; Seeliger, M. A.; Eastwood, M.P.; Frank, F.; Xu, H.; Jensen, M.; Dror, R.O.; Kuriyan, J.; and Shaw, D. E., "A Conserved Protonation-Dependent Switch Controls Drug Binding in the Abl Kinase," Proc. Natl. Acad. Sci. USA, 2009, 106, 139-144
