Monday, September 26, 2005
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Morning Session
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8:00 - 8:50
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Check-In/Breakfast (Hosted by IPAM)
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8:50 - 9:00
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Welcome and Opening Remarks
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9:00 - 9:50
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Klaus Schulten (University of Illinois at Urbana-Champaign)
""Multiscale simulations of DNA-protein, and protein-lipid complexes"
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9:50 - 10:20
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Break
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10:20 - 11:10
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Joel Ireta (Fritz-Haber-Institut der Max-Planck-Gesellschaft)
"IInfinite polypeptides: An approach to study the secondary structure of proteins"
Presentation (PowerPoint File)
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11:10 - 12:00
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Joan-Emma Shea (UC Santa Barbara)
"Design of Inhibitors of Alzheimer Amyloid-ß Peptide Aggregation"
Presentation (PowerPoint File)
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12:00 - 2:00
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Lunch (on your own)
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Afternoon Session
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2:00 - 2:50
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William Gelbart (UCLA)
"Chain translocation in a biological context"
Presentation (PowerPoint File)
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2:50 - 3:40
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John Maddocks (École Polytechnique Fédérale de Lausanne (EPFL))
"Parametrizations of Coarse-Grain Sequence-Dependent Models of DNA Mechanics"
Presentation (PDF File)
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3:40 - 4:10
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Break
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4:10 - 5:00
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Alexander Lyubartsev (University of Stockholm)
"Invese Monte Carlo method for determination of effective potentials for coarse-grained models"
Presentation (PowerPoint File)
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5:00 - 7:00
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Wine & Cheese Reception and Poster Session
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Tuesday, September 27, 2005
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Morning Session
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8:30 - 8:50
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Continental Breakfast
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9:00 - 9:50
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Michael Schick (University of Washington)
"A comparison of two routes to membrane fusion"
Presentation (PowerPoint File)
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9:50 - 10:20
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Break
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10:20 - 11:10
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Anatoly Kolomeisky (Rice University)
"Growth Dynamics of Cytoskeleton Proteins: Multiscale Theoretical Analysis"
Presentation (PowerPoint File)
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11:10 - 12:00
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Steve Plotkin (University of British Columbia)
"How do many-body interactions and transition state structure determine how a protein folds? "
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12:00 - 2:00
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Lunch (on your own)
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Afternoon Session
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2:00 - 2:50
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Monte Pettitt (University of Houston)
"Hydrophobicity at different length scales"
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2:50 - 3:40
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Philip Pincus (UC Santa Barbara)
"Multi-Scale Views of the Hydrophobic Interaction"
Presentation (PowerPoint File)
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3:40 - 4:10
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Break
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4:10 - 5:00
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Daniel Zuckerman (University of Pittsburgh)
"Exploring Algorithm Space: Resolution Exchange Simulation and Other Exchange Variants"
Presentation (PowerPoint File)
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5:00 - 5:50
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Zan Luthey-Schulten (University of Illinois at Urbana-Champaign)
"Using Evolutionary Concepts to Study the Function and Folding of Proteins"
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Wednesday, September 28, 2005
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Morning Session
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8:30 - 9:00
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Continental Breakfast
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9:00 - 9:50
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Angel Garcia (Rensselaer Polytechnic Institute)
"Theoretical Studies of Pressure effects on folding/unfolding of proteins"
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9:50 - 10:20
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Break
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10:20 - 11:10
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Mark Tuckerman (New York University)
"Enhanced conformational sampling via novel variable transformation and very large time-step molecular dynamics"
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11:10 - 12:00
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To Be Announced
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12:00 - 6:00
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Excursion to the Getty Center: lunch and afternoon visit
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Thursday, September 29, 2005
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Morning Session
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8:30 - 8:50
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Continental Breakfast
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9:00 - 9:50
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Jeffery Saven (University of Pennsylvania)
"Solvation and the design and engineering of folding molecules"
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9:50 - 10:20
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Break
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10:20 - 11:10
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Ken Dill (University of California, San Francisco)
"Statistical mechanical models of water and aqueous solvation"
Presentation (PDF File)
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11:10 - 12:00
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Nathan Baker (Washington University in St. Louis)
"Multiscale methods for biomolecular electrostatics and diffusion"
Presentation (PowerPoint File)
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12:00 - 2:00
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Lunch (on your own)
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Afternoon Session
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2:00 - 2:50
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Alexander Grosberg (University of Minnesota, Twin Cities)
"How proteins find their target on DNA? Delbruck model revisited"
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2:50 - 3:40
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Peter Wolynes (University of California, San Diego)
"Recent Successes of Energy Landscape Theory of Protein Folding"
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3:40 - 4:10
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Break
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4:10 - 5:00
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David Wales (University of Cambridge)
"Navigating the Energy Landscape: Pathways and Rates"
Presentation Files (Zip Archive)
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5:00 - 5:50
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Robijn Bruinsma (UCLA)
"Physical Models of Viruses"
Presentation (PDF File)
Presentation (PowerPoint File)
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Friday, September 30, 2005
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Morning Session
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8:30 - 8:50
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Continental Breakfast
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9:00 - 9:50
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Steve Nielsen (University of Texas at Dallas)
"Coarse grained to atomistic mapping algorithm: a tool for multiscale simulations"
Presentation (PowerPoint File)
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9:50 - 10:20
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Break
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10:20 - 11:10
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Mike Thorpe (Arizona State University)
"Flexibility in Biomolecules: Beyond Molecular Dynamics"
Presentation (PowerPoint File)
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11:10 - 12:00
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Kurt Kremer (Max Planck Institute for Polymer Research)
"Linking Structure and Properties: Multiscale Simulations of Macromolecules"
Presentation (PowerPoint File)
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12:00 - 2:00
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Lunch (on your own)
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Afternoon Session
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2:00 - 2:50
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Arieh Warshel (University of Southern California)
"Multiscale Modeling of Biological Functions"
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2:50 - 3:40
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Panel Discussion
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3:40 - 4:10
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Break
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4:10 - 5:50
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Panel Discussion
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