Monday, November 16, 2009

• 8:00 am
• Continental Breakfast
• 8:25 am
• Welcoming Remarks - Steve Harvey, Georgia Institute of Technology and Bob Guldberg, Director of IBB
• 8:30am - 9:15am
• Andrew McCammon, University of California, San Diego
• "Computer-aided Drug Discovery for Infectious Diseases"
• 9:15 am - 9:45 am
• Mari DeMarco, University of Georgia
• "Exploring Structure-function Relationships in Human Innate Immune Glycoprotein Complexes with Bacterial Lipopolysaccharides by Molecular Dynamics Simulations"
• 9:45 am - 10:15 am
• Ivaylo Ivanov, Georgia State University
• "The Interplay of AAA+ Molecular Machines and Sliding Clamps at the DNA Replication Fork"
• 10:15 am - 10:30 am
• Break set up for poster session
• 10:30 am - 11:15 am
• Wilma Olson, Rutgers University
• "DNA Mechanics and Gene Regulation"
• 11:15 am - 11:45 am
• Thomas Bishop, Tulane University
• "Structure and Dynamics of Nucleosomal DNA on Different Length Scales"
• 11:45 am - 1:30 pm
• Lunch & Poster Session
• 1:30 pm - 2:15 pm
• Ron Elber, University of Texas
• "Long Time Dynamics of Biomolecules"
• 2:15 pm - 2:45 pm
• Peter Ludovice, Georgia Institute of Technology
• "Molecular Simulation of RNA Tetraloop Formation"
• 2:45 pm - 3:15 pm
• Donald Hamelberg, Georgia State University
• "Atomistic Simulations of Long-timescale Conformational Changes in Biomolecular Switches"
• 3:15 pm - 3:30 pm
• Break
• 3:30 pm - 4:15 pm
• Cecilia Clementi, Purdue University
• "Prediction of Protein Functional States by Multi-resolution Protein Modeling"
• 4:15 pm - 4:45 pm
• Steffen Lindert, Vanderbilt University
• "Protein Folding and Fitting Tools for Medium Resolution Cryo-EM Density Maps"

Tuesday, November 17, 2009

• 8:00 am
• Continental Breakfast
• 8:30 am - 9:15 am
• Valerie Daggett, University of Washington
• "Using Simulations to Map Conformational Changes Associated with Amyloidosis"
• 9:15 am - 9:45 am
• Marcia Fenley, Florida State University
• "Electrostatic Contributions to Ligand-nucleic Acid Interactions Studied by Poisson-Boltzmann and Counterion Condensation Theories"
• 9:45 am - 10:15 am
• James Patterson, University of Alabama, Birmingham
• "Molecular Dynamics of ApoA-I Mimetic Peptides"
• 10:15 am - 10:30 am
• Break
• 10:30 am - 11:15 am
• Wilfred van Gunsteren, ETH Zürich
• "Thirty Years of (Bio)molecular Simulation: How Far Have We Come?"
• 11:15 am - 11:45 am
• David Beveridge, Wesleyan University
• "Molecular Dynamics of T. aquaticus MutS: Interdomain Communication and Allosterism"
• 11:45 am - 1:00 pm
• Lunch
• 1:00 pm - 1:45 pm
• Carol Post, Purdue University
• "Protein Compressibility and Stability"
• 1:45 pm - 2:30 pm
• Dave Thirumalai, University of Maryland
• "Allosteric Transitions and Function in a Biological Nanomachine"
• 2:30 pm - 3:00 pm
• David Wilson, Georgia State University
• "From Fundamentals to Drug Design in the Analysis of Compounds That Recognize the DNA Minor Groove: Challenges for Macromolecular Simulations"
• 3:00 pm - 4:00 pm
• Poster session and refreshments
• 4:00 pm
• Awards
• 4:05 pm - 5:05 pm
• Plenary Lecture: Michael Levitt, Stanford University
• "New Potential Energy Functions for Protein Energy Refinement and Molecular Dynamics Simulations"