Tuesday, January 22
8:00am – 9:00am Breakfast for Hotel Guests (Exchange Room)
9:00am – 9:15am Opening Remarks (Robert Ecke, CNLS & Angel Garcia, Organizer)
9:15am – 10:00am Roland Winter (Technical University Dortmund)
“Using Pressure Perturbation for Studying the Free Energy and Conformational”
10:00am – 10:45am Mike P Williamson (University of Sheffield)
“Structural Changes of Proteins and DNA with Pressure
as Measured Using NMR Chemical Shift Changes”
10:45am – 11:00am Coffee Break
11:00am – 11:45am Gerhard Hummer (National Institutes of Health)
“Protein Hydration at Ambient Conditions and Under Pressure”
11:45am – 12:30am Debora Foguel (Universidade Federal do Rio de Janeiro)
“Using High Hydrostatic Pressure (HHP) to Trap Aggregation-Prone Intermediates: The Case of Transthyretin and of the Portal Protein of P22”
12:30am – 2:00pm Lunch Break
2:00pm – 2:45pm Roger Fourme (Synchrotron-SOLEIL)
“High pressure macromolecular crystallography (HPMX)
studies of A- and B-DNA up to 2 GPa”
2:45pm – 3:30pm Jerson L. Silva (Millennium Institute for Structural Biology)
“Hydration Forces and Volume Constraints in
Protein Folding, Misfolding and Aggregation”
3:30pm – 4:00pm Coffee Break
4:00pm – 4:45pm Alfons Schulte (University of Central Florida)
“Ligand Binding Kinetics in Myoglobin and
Protein Dynamics under High Pressure”
4:45pm – 5:30pm Bertrand García-Moreno (Johns Hopkins University)
“Hydration, Fluctuations, Conformational Reorganization, and Other
Pressure Sensitive Contributions to Electrostatic Effects in Proteins”
Wednesday, January 23
8:00am – 9:00am Breakfast for Hotel Guests (Exchange Room)
9:00am – 9:45am Shekhar Garde (Rensselaer Polytechnic Institute)
“Proteins Under Pressure: Insights from Molecular Dynamics Simulations”
9:45am – 10:30am Kunitsugu Soda (Nagaoka University Technology)
“Dynamics of Structural Fluctuations of Proteins and Hydration Effects”
10:30am – 11:00am Coffee Break
11:00am – 11:45am Raul Grigera (IFLYSIB)
“Protein Denaturation Induced by Pressure
Studied by Molecular Dynamics Simulation”
11:45am – 12:30pm Dietmar Paschek (Technische Universit at Dortmund)
“Modeling Water and the Hydrophobic Effect at Extreme Conditions and Calculating Properties Determining the Stability Diagram of a Miniprotein in Aqueous Solutions”
12:30pm – 2:00pm Lunch Break
2:00pm – 2:45pm Robert MacGregor (University of Toronto)
“TBA”
2:45pm – 3:30pm Luis A. Marky (University of Nebraska Medical Center)
“Unfolding Thermodynamics of Unusual DNA Structures:
Intramolecular G-quadruplexes and “Pyrimidine” Triplexes”
3:30pm – 4:00pm Coffee Break
4:00pm – 4:45pm Sapna Sarupria (Rensselar Polytechnic Institute)
“Hydrophobic Hydration and Interactions Over Extended Thermodynamic Space”
Hideki Tachibana (Kobe University)
“Volumetric Properties and Structural Core of
Amyloid-Like Fibrils from Disulfide-Deficient Lysozyme”
4:45pm – 6:00pm Poster Session (Exchange Room)
6:00pm – 8:00pm Dinner Banquet (Coronado Room)
Thursday, January 24
8:00am – 9:00am Breakfast for Hotel Guests (Exchange Room)
9:00am – 9:45am Kazuyuki Akasaka (Kinki University)
“Pressure and the Protein World”
9:45am – 10:30am Christian Roumestand (Center de Biochimie Structurale)
“NMR and Protein Dynamics: No More Than Relaxation”
10:30am – 11:00am Coffee Break
11:00am – 11:45am Hans Robert Kalbitzer (University of Regensburg)
“Intermediate States of Proteins Detected by High Pressure NMR Spectroscopy”
11:45am – 12:30pm Nikolaos Sgourakis (Rensselaer Polytechnic Institute)
"Pressure Effects on the Ensemble Dynamics of Ubiquitin at the Picosecond-to- Nanosecond Timescale Inspected with Molecular Dynamics Simulations and
Isotropic Reorientational Eigenmode Dynamics"
S. Gnanakaran (Los Alamos National Laboratory)
“Interfacing Spectral Measurements with Theoretical Simulations:
Pressure and Thermal Denaturation of Helices”
12:30pm – 2:00pm Lunch Break
2:00pm – 2:45pm Doug Barrick (The Johns Hopkins University)
“Folding of Ankyrin Repeat Proteins at Low and High Pressures”
2:45pm – 3:30pm George Makhatadze (RPI)
“Modulation of Protein Stability Through Computational Design
of Interactions on the Protein”
3:30pm – 4:00pm Coffee Break
4:00pm – 4:45pm Tigran Chalikian (University of Toronto)
“Molecular Origins of Volumetric Data”
4:45pm – 5:30pm Werner Kremer (University of Regensburg)
“Species-specific Differences in the Intermediate States of Human and
Syrian Hamster Prion Protein Detected by High Pressure NMR Spectroscopy”
Friday, January 25
8:00am – 9:00am Breakfast for Hotel Guests (Exchange Room)
9:00am – 9:45am Hans Frauenfelder (Los Alamos National Laboratory)
“A Unified Model of Protein Dynamics”
9:45am – 10:30am Sean M. Decatur (Mount Holyoke College)
“Effects of High Pressure on Backbone Hydration in Model Helical Peptides”
10:30am – 11:00am Coffee Break
11:00am – 12:30pm Discussion