Tuesday, May 20, 2008: 1:30 PM-5:30 PM
Medical Arts Building, Rm M-146 (Queensborough Community College)
Computational Chemistry for the Health of Humanity and the Planet, II - Energetics, Structure, and Functionality
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 understanding how the energetics and the structure are related to the functionality of important systems in these research areas.
Sponsor:	Healthcare & Life Sciences Department, Dell, Inc.; Chemistry Department, Brookhaven National Laboratory
Organizers:	Daqing Gao Seogjoo Jang
1:30 PM	441		Computational Studies of Artificial Photosynthesis James T. Muckerman, Etsuko Fujita
2:10 PM	442		Solvent Structure on Surfaces and Its Relation to Protein-Ligand Binding Tom Young, Robert Abel, Richard A. Friesner, Bruce Berne
2:30 PM	443		Characterization of the Solvation Dynamics of Ionic Liquids Mark N. Kobrak
3:00 PM			Break
3:10 PM	444		An Electrostatic/Geometric Mechanism for Compact Chromatin Stabilization Tamar Schlick, Gaurav Arya
3:50 PM	445		Characterizing Drug Resistance Using All-Atom Molecular Dynamics Simulations Robert C. Rizzo, Trent E. Balius, Rashi Goyal, Brian E. McGillick, Sudipto Mukherjee
4:20 PM	446		Quantum Calculations as a Tool in Structural Biology: Protons and Water in Biological Molecules Michael E. Green
5:00 PM	447		The Role of Modeling and Simulation in Bringing Drugs to Market August Calhoun, Stefan Unger

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