Friday March 18, 2005
Abstract # Time Duration Speaker Title
Registration 8:00   Jenny Du, Yvonne Goddard BI Patio, Coffee
Session C: Biotechnology    
Chairs: Markus Buehler, Weiqiao Deng  
C1 8:50 10 Emily Abbott Corporate Relations
C2 9:00 30 Vaidehi Overview of computational biochemistry and of sensory GPCRs
C3 9:30 20 Pete Huskey New MC Methods and Analog design for Phenylalanyl tRNA synthetase
C4 9:50 12 Wendel, John MSC Dock for diverse and flexible docking
C5 10:02 12 Heo, Jiyoung 3D structure of Mrg receptors and ligand binding sites
C6 10:14 12 Peng, Joyce Structure and Function of Human M1 Muscarinic Acetylcholine Receptor
C7 10:26 12 Koslover, Daniel Characterizing the Structure and Function of Purinergic Receptors."
C8 10:38 12 Kalani, Yashar Structure and Function predictions for somatostatin SSR2 receptor
Break 10:50 20    
C9 11:10 20 Niemer, Rachel Structure and Function of the multitue of LPA receptors
C10 11:30 12 Schlyer, Sabine Modeling the CCR1 receptor and the ligand binding sites
C11   Poster Fabrikant, Elina Structure and Function of Human Histamine Receptor
C12   Poster Abrol, Ravi Structure and Function of Bitter Receptors
C13   Poster Tanrikulu, Caglar Design of  tRNA synthetases for novel amino acids
C14   Poster Clark, Peter Cracking the Sulfation Code: Understanding Chondroitin Sulfate Tetrasaccharides
C15   Poster McClendon, Chris Structural Insights on Editing Activity by Leucyl-tRNA Synthetase
C16   Poster Wiencko, Heather  the Structure and Function of of alpha1a Adrenergic GPCR and Agonists
C17   Poster Bray, Jenelle, Griffith, Adam Structure and Comparison of Human Serotonin 2A, 2B, and 2C Receptors
C18 11:42 12 Pascal,Tod Coarse grain FF for describing DNA nanostructures
C19 11:54 12 Zhu, Fangqiang DNA repair mechanism
C20   Poster Osamu Kitao Consistent Charge Equilibration with general Force Field (CQFF)
C21   Poster Olafson, Barry LinGraf and Molscape for modeling and simulation
C22 12:06 12 Diallo, Mamadou Molecular Environmental Technology (Humic Acid, Cu-PAMAM)
C23 12:18 20 Tang, Yongchun Recent progress at the Power, Energy, Environmental Research (PEER) Center
C24   Poster Koslover, Daniel Prediction of transmembrane alpha helices using primary sequence data
Lunch 12:38 52   BI Patio
Session D: Catalysis, Quantum Mechanics, and Applications  
Chairs: Adri van Duin, Boris Merinov  
D1 1:30 12 Oxgaard, Jonas Overview of catalysis
D2 1:42 20 Gonzales, Jason Activation of Methylrenium TriOxide (MTO) with Peroxide
D3 2:02 20 Su, Julius Improving IBX, a Hypervalent Iodine Oxidation Reagent
D4 2:22 20 Keith, John Competitive Mechanisms in the Wacker Process
D5   Poster Keith, Jason Pd-mediated activation of molecular oxygen
D6 2:42 20 Nielsen, Robert New ligands for the palladium-catalyzed enantioselective oxidation of secondary alcohols
D7 3:02 20 Benitez, Diego The mechanism of the Grubbs Ru-carbene Olefin metathesis catalysts
D8   Poster Pudar, Sanja States of WCH2 and W(en)CH2 and correlation in Ar dimer
D9 3:22 20 Fisher, Dan Quantum Monte Carlo methods
Break 3:42 20    
D10 4:02 12 Anderson, Amos Quantum Monte Carlo and teraflop scale scientific computing on Graphics Cards
D11 4:14 12 Xu, Ke Hypervalency
D12   Poster Miyata, Masayasu Origin of Dielectric breakdown in semiconductor oxides
D13   Poster Solares, Santiago DFT Studies on Si(111) Reconstructions and Functionalization"
D14 4:26 20 Tahir-Kheli, Jamil Neutron Scattering in Cuprate Superconductors
D15 4:46 20 Li,Youyong The free energy theta temperature and Critical Exponents for Polymer Chains
D16 5:06 20 Kim, Hoon Tunneling through molecules
D17 5:26 5 Goddard, Bill Wrap-up
Finish 5:31