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 AM | 558 | Desulfurization Reactions on Metal Carbides and Phosphides: Complex Role of C and P Sites Jose A. Rodriguez, Ping Liu, James T. Muckerman | |
9:10 AM | 559 | Effect 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 AM | 560 | Ab-Initio Density Matrix Renormalization Group and Tensor Network Wavefunctions Garnet K. Chan | |
10:10 AM | Break | ||
10:20 AM | 561 | Towards Computational Simulation of Receptor-Mediated Transmembrane Signaling Events in Realistic Environments Marco Ceruso | |
10:50 AM | 562 | Computational Design of Structured RNA Pools for in Vitro Selection of RNAs Hin Hark Gan, Namhee Kim, Shereef Elmetwaly, Tamar Schlick | |
11:10 AM | 563 | Computational 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 AM | 564 | Network 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)