Wednesday, May 21, 2008: 8:30 AM-12:00 PM
Medical Arts Building, Rm M-146 (Queensborough Community College)
Computational Chemistry for the Health of Humanity and the Planet, III - Complexity and Accuracy
Computational chemistry has become an essential tool for biomedical research (health of the humanity) and renewable energy research (health of the planet). This session discusses recent advances in how the issues of complexity and accuracy can be overcome in these research areas.
Sponsor: Healthcare & Life Sciences Department, Dell, Inc.; Chemistry Department Brookhaven National Laboratory
Organizers:Daqing Gao
Seogjoo Jang
8:30 AMDesulfurization Reactions on Metal Carbides and Phosphides: Complex Role of C and P Sites
Jose A. Rodriguez, Ping Liu, James T. Muckerman
9:10 AMEffect of Hydrogen-Bonding Strengths in Various Foldamer Building Blocks on the Conformational Distributions of Aromatic Oligomers
Jhenny F. Galan, Zhiwei Liu, Jodian Brown, Whelton A Miller, Vojislava Pophristic
9:30 AMAb-Initio Density Matrix Renormalization Group and Tensor Network Wavefunctions
Garnet K. Chan
10:10 AMBreak
10:20 AMTowards Computational Simulation of Receptor-Mediated Transmembrane Signaling Events in Realistic Environments
Marco Ceruso
10:50 AMComputational Design of Structured RNA Pools for in Vitro Selection of RNAs
Hin Hark Gan, Namhee Kim, Shereef Elmetwaly, Tamar Schlick
11:10 AMComputational Design of Small Molecular Inhibitors to Promote Induction of Bone Growth by BMPs
Boojala Vijay B. Reddy, Sreedhara Sangadala, Raghu Prasad Rao Metpally, Shaila Ahmed, Pooja Makkar
11:40 AMNetwork Approach for Analysis of Residue Packing in Helical Membrane Proteins and Its Application in Membrane Protein Structure Prediction
Vagmita Pabuwal, Zhijun Li

Back to The 40th Middle Atlantic Regional Meeting (MARM) (May 17�21, 2008)