Publications
| "Intermediates in dioxygen activation by methane monooxygenase: a QM/MM study" Rinaldo, D.; Philipp, D.M.; Lippard, S.J.; & Friesner, R.A., J. Am. Chem. Soc., 2007, 129, 3135-3147 | QSite | 2007 | |
| "Pose prediction accuracy in docking studies and enrichment of actives in the active site of GSK-3v" Gadakar, P.K.; Phukan, S.; Dattatreya, P.; Balaji, V.N., J. Chem. Inf. Model., 2007, 47, 1446-1459 | LigPrep | 2007 | |
| "Theoretical and Spectroscopic Study of Nickel(II) Porphyrin Derivatives" Berrios, C.; Cardenas-Jiron, G.; Marco, J.; Gutierrez, C.; Ureta-Zanartu, M., J. Phys. Chem. A, 2007, 111, 2706-2714 | Jaguar | 2007 | |
| "Single-Site Vanadyl Activation, Functionalization, and Reoxidation Reaction Mechanism for Propane Oxidative Dehydrogenation on the Cubic V4O10 Cluster" Cheng, M.; Chenoweth, K.; Oxgaard, J.; vanDuin, A.; Goddard, W., J. Phys. Chem. C, 2007, 111, 5115-5127 | Jaguar | 2007 | |
| "Unprecedented Formation of Azulenylidene Ligands by Reaction of the Vinylidene Ligand in Arylvinylidene Pentacarbonyl Complexes of Chromium and Tungsten with Alkoxyacetylenes" Hagmayer, S.; Früh, A.; Haas, T.; Drexler, M.; Fischer, H., Organometallics, 2007, 26, 3791-3801 | Jaguar | 2007 | |
| "2,6-Disubstituted N-Arylsulfonyl Piperidines as Gamma-Secretase Inhibitors" Pissarnitski, D.A.; Asberom, T.; Bara, T.A.; Buevich, A.V.; Clader, J.W.; Greenlee, W.J.; Guzik, H.S.; Josien, H.B.; Li, W.; McEwan, M.; McKittrick, B.A.; Nechuta, T.L.; Parker, E.M.; Sinning, L.; Smith, E.M.; Song, L.; Vaccaro, H.A.; Voigt, J.H.; Zhang, , Bioorganic & Medicinal Chemistry Letters, 2007, 17, 57-62 | Jaguar | 2007 | |
| "Electronics and Chemistry: Varying Single-Molecule Junction Conductance Using Chemical Substituents" Venkataraman, L.; Park, Y.; Whalley, A.; Nuckolls, C.; Hybertsen, M.; Steigerwald, M., Nano Letters, 2007, 7, 502-506 | Jaguar | 2007 | |
| ö | "Bonded Exciplexes. A New Concept in Photochemical Reactions" Wang, Y.; Haze, O.; Dinnocenzo, J.P.; Farid, S.; Farid, R.S.; Gould, I.R., J. Org. Chem., 2007, 72, 6970-6981 | Jaguar | 2007 |
| "Investigation into the P3 Binding Domain of m-Calpain Using Photoswitchable Diazo- and Triazene-dipeptide Aldehydes: New Anticataract Agents" Abell, A.D.; Jones, M.A.; Neffe, A.T.; Aitken, S.G.; Cain, T.P.; Payne, R.J.; McNabb, S.B.; Coxon, J.M.; Stuart, B.G.; Pearson, D.; Lee, H.Y.; Morton, J.D., J. Med. Chem., 2007, 50, 2916-2920 | Induced Fit | 2007 | |
| "Identification of a putative binding site for 5-alkyl-benzothiadiazides in the AMPA receptor dimer interface" Harpsøe, K.; Varming, T.; Gouliaev, A.H.; Peters, D.; Liljefors, T., J. Mol. Graph. Model., 2007, 26, 213-225 | Induced Fit | 2007 |
ö indicates papers (co)authored by Schrödinger scientist(s).