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From Computational Biophysics to Systems Biology (CBSB13)
May 19-21, 2013  Norman, Oklahoma
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Preliminary Workshop Program

Saturday, May 18, 2013
afternoonArrival in Norman
7:00 - 9:00 pmInformal gathering at Sooner Legends restaurant
Sunday, May 19, 2013
8:00amShuttle leave Sooner Legends hotel for conference center
8:30-8:55 amRegistration
8:55-9:00 amWelcome
9:00-10:00 am Hans Frauenfelder (Keynote)
PROTEIN DYNAMICS, FLUCTUATIONS, AND THE FREE-ENERGY LANDSCAPE
10:00-10:30 amBreak
10:30-11:00 am Jianing LI (CBSB13 Outstanding Young Researcher talk)
Multiscale Modeling of G Protein-Coupled Receptors (GPCRs)
11:00-11:20 am Christopher Mielack
Water and Hydrogen Bond Dynamics in the Channelrhodopsin-2 Light-Gated Proton Channel
11:20-11:40 pm Yin Luo
Molecular Insights into the Reversible Fibril Formation of Tau Protein
11:40-12:10 pm Panel Discussion
12:10-2:00 pmLunch
2:00-2:30 pm Harold Scheraga (Invited Talk)
Biological Applications of the UNRES Force Field
2:30-3:00 pm Christodoulos A. Floudas (Invited Talk)
A Novel Optimization Framework for the Design of Proteins with Post-Translational Modifications and Unnatural Amino Acids
3:30-4:00 pm Magdalena Mozolewska (CBSB13 Outstanding Young Researcher talk)
In silico investigation of structure Isu1 and its complex with Jac1 using the coarse-grained UNRES force field
3:30-4:00 pmBreak
4:00-4:30 pm Art Voter (Invited Talk)
Generality of parallel replica dynamics and applicability to biological systems
4:30-4:50 pm Sabareesh Subramaniam
Strucuture prediction of single-span transmembrane dimers
4:50-5:10 pm Sam Tonddast-Navaei
Mechanism of Substrate Protein Binding and Release during the Allosteric Cycle of p97*
5:10-5:30 pm Akos Dobay
Simulation of epidemics with quarantine in host-pathogen interactions
5:30-6:00 pmPanel Discussion
6:00-7:30 pmPoster Session
7:30 pmShuttle leave conference center for Sooner Legends hotel
Monday, May 20, 2013
8:00amShuttle leave Sooner Legends hotel for conference center
8:30-9:30 am Klaus Schulten (Keynote)
Experimental-Computational Discoveries Achieved Through the Blue Waters and Titan Petascale Computers
9:30-10:00 am Frank Pickard (CBSB13 Outstanding Young Researcher talk)
Efficient arbitrary order implementation of anisotropic electrostatic interactions in the CHARMM simulation package
10:00-10:30 amBreak
10:30-11:00 am Carol Post (Invited Talk)
Correlation networks of rhinovirus capsid dynamics
11:00-11:20 am Michael Brown
A Novel Screening Tool Indicative of Primary Sjogren Syndrome versus Sicca Symptoms
11:20-11:40 pm Duy Hua
Assessment of protein simulations in explicit and implicit solvents
11:40-12:10 pm Panel Discussion
12:10-2:00 pmLunch
2:00-2:30 pm Tom Woolf (Invited Talk)
Continued Sampling: Using data aware feedback and control for peptide conformational search
2:30-3:00 pm Eberhard Voit (Invited Talk)
Wanted: The Best Models in Systems Biology
3:00-3:30 pm Andrea Kravats (CBSB13 Outstanding Young Researcher talk)
Elucidating the mechanistic dependence of Clp ATPase assisted protein remodeling on substrate protein topology
3:30-4:00 pmBreak
4:00-4:30 pm Donald Hamelberg (Invited Talk)
Probing functional dynamics in enzymes using simulations
4:30-4:50 pm Jun Zhao
Investigating Ion Channel Activity of Human Islet Amyloid Polypeptide (amylin) Using Molecular Dynamics Simulations
4:50-5:10 pm Shanthi Nagarajan
Molecular simulation of the Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) bound to an open channel blocker GlyH-101.
5:10-5:30 pm Nadeem Vellore
Understanding the biophysical nature of LSD1/CoREST dynamics using enhanced sampling simulation
5:30-6:00 pmPanel Discussion
6:15 pmShuttle leave conference center for Sooner Legends hotel
6:00-8:00 pmDinner at Sooner Legends
Tuesday, May 21, 2013
8:00amShuttle leave Sooner Legends hotel for conference center
8:30-9:30 am Dan Stanzione (Keynote)
The iPlant Collaborative: A Life Sciences Cyberinfrastructure for the 21st Century
9:30-10:00 am Yanxin Liu (CBSB13 Outstanding Young Researcher talk)
Molecular dynamics simulations of the folding of a five-helix bundle protein
10:00-10:30 amBreak
10:30-11:00 am Ana-Nicoleta Bondar (Invited Talk)
Lipids and hydrogen bonding in membrane protein function
11:00-11:30 am Borries Demeler (Invited Talk)
Macromolecular solution properties by analytical ultracentrifugation
11:30 am -12:00 pm Feng Wang (Invited Talk)
Microsecond simulations at electronic structure quality: heading toward a biological force field from accurate water models
12:00pm - 12:05 pmParting words
12:30 pmShuttle leave conference center for Sooner Legends hotel
Conference ends