| INOR | Wednesday, 13 September 2006 | ||
1:30 PM-5:30 PM Moscone Center -- Room 307, Oral | |||
Bioinorganic Modeling | |||
| Organizers: | Debbie C. Crans Bernadette T. Donovan-Merkert | ||
| Presiding: | Maolin Guo | ||
| 1:30 PM | 936 | Effects of metal substitution on activity of 5-aminolevulinic acid dehydratase (ALAD) Frederick P. Arnold Jr., Karen Tang | |
| 1:50 PM | 937 | Development of copper-sulfide chemistry relevant to the active site of nitrous oxide reductase John T. York, Eric C. Brown, William B. Tolman | |
| 2:10 PM | 938 | Electronic tuning of ß-diketiminate ligands with fluorinated substituents: Effects on the O2-reactivity of mononuclear Cu(I) complexes Lyndal M. R. Hill, Benjamin F. Gherman, Nermeen W. Aboelella, Christopher J. Cramer, William B. Tolman | |
| 2:30 PM | 939 | Methanobactin mimics: Copper(I) bis(mercaptoimidazolyl)methane complexes Leigh A. Graham, Kevin A. Kreisel, Glenn P. A. Yap, Daniel Rabinovich | |
| 2:50 PM | 940 | Modeling the O2 and NO reduction activity of heme/Cu oxidases Simona C. Puiu, Eduardo E Chufán, Biplab Mondal, Kenneth D. Karlin | |
| 3:10 PM | 941 | Engineering myoglobin into a model of bacterial nitric oxide reductase Natasha Yeung, Xuan Zhao, Brandy S. Russell, Yi Lu | |
| 3:30 PM | 942 | Protonation and reduction of nickel-cysteine centers Patrick J. Desrochers, Ariel S. Marshall, Davis Duong | |
| 3:50 PM | 943 | Computational studies of chronic beryllium disease S Gnanakaran, Brian L. Scott, Angel E. Garcia, T. Mark McCleskey | |
| 4:10 PM | 944 | Accurate metalloprotein spectra and structure from quantum chemistry Yong Zhang, Eric Oldfield | |
| 4:30 PM | 945 | DFT-QM/MM Models of the oxygen-evolving complex of photosystem II and characterization of synthetic oxomanganese complexes Eduardo M. Sproviero, Jose A. Gascon, James P. McEvoy, Gary W. Brudvig, Victor S. Batista | |
| 4:50 PM | 946 | A model for the unmodified form of NHase: How does post-translational oxidation of the NHase cysteinates influence function? Priscilla Lugo-Mas, Abhishek Dey, Elena Slonkina, Roslyn M. Theisen, Liang Xu, Antonio DiPasquale, Werner Kaminsky, Britt Hedman, Britt Hedman, Edward I. Solomon, Julie A. Kovacs | |
| 5:10 PM | 947 | Modulation of oxoiron(IV) properties through trans substitutions Timothy A. Jackson, Jason A. Halfen, Wonwoo Nam, Lawrence Que Jr. | |
Bioinorganic Modeling -- Next Session
Symposium Grid -- Division of Inorganic Chemistry -- Session Listing
The 232nd ACS National Meeting, San Francisco, CA, September 10-14, 2006