| SUNDAY |
| 2:00 pm - 9:00 pm | Arrival and check-in |
| 5:00 pm | Reception |
| 6:00 pm | Dinner |
| 7:30 pm - 9:30 pm | Emerging Structure Methods: Experimental and Computational Challenges 1 |
| 7:30 pm - 7:40 pm | Welcome |
| 7:40 pm - 7:50 pm | Discussion Leader: Carol Beth Post (Purdue University) |
| 7:50 pm - 8:35 pm | Angela Gronenborn (NIH Laboratory of Chemical Physics)
"Finding a Needle in a Haystack: Combining Modeling, Docking and NMR" |
| 8:35 pm - 9:20 pm | Hartmut Oschkinat (FMP)
"Structural genomics, membrane proteins and automation" |
| 9:20 pm | Discussion, followed by Reception |
| MONDAY |
| 7:30 am - 8:30 am | |
| 9:00 am - 12:30 pm | Chemical Shifts as Structural Tools |
| 9:00 am - 9:15 am | Discussion Leader: David Wishart (University of Alberta) |
| 9:15 am - 10:00 am | Eric Oldfield (UIUC)
"From NMR and Quantum Chemistry to Drug Design and Chemotherapy" |
| 10:00 am | Coffee Break / Photo Session |
| 10:45 am - 11:30 am | David Case (Scripps Research Institute)
"CSA and Relaxation" |
| 11:30 am - 12:15 pm | Vladimir Sklenar (Masaryk University)
"DFT Calculations of NMR parameters in Nucleic Acids: How close can we get?" |
| 12:15 pm | Discussion |
| 12:30 pm | Lunch |
| 1:30 pm - 4:00 pm | Free Time |
| 4:00 pm - 6:00 pm | Poster Session I: Odd Numbered Posters |
| 6:00 pm | Dinner |
| 7:30 pm - 9:30 pm | Paramagnetics: Information from a Stronger Spin |
| 7:30 pm - 7:40 pm | Discussion Leader: Miriam Gochin (University of the Pacific and UCSF) |
| 7:40 pm - 8:20 pm | R. Andrew Byrd (NCI)
"Contemporary and Novel Application of Paramagnets in Structural Studies of Non-Metallo Proteins: Asymmetry, Alignment, RDCs, and Pseudocontact shifts" |
| 8:20 pm - 9:00 pm | Claudio Luchinat (University Firenze)
"Integrated packages to use paramagnetism-based constraints for structure determination of metalloproteins" |
| 9:00 pm - 9:20 pm | William (Milo) Westler (Univ. Wisconsin)
"Hyperfine Chemical Shifts in Iron-Sulfur Proteins by the Computation of Spin Densities"
|
| 9:20 pm | Discussion |
| TUESDAY |
| 7:30 am - 8:30 am | Breakfast |
| 9:00 am - 12:30 pm | Conformational Dynamics |
| 9:00 am - 9:15 am | Discussion Leader: Arthur G. Palmer III (Columbia University) |
| 9:15 am - 10:00 am | Rafael P. Brueschweiler (Clark University)
"New NMR Spectroscopic and Database Methods for the Analysis of Protein Structure and Dynamics" |
| 10:00 am | Coffee Break |
| 10:45 am - 11:30 am | Ruhong Zhou (IBM Thomas J. Watson Research Center)
"Protein folding and conformational motion with molecular dynamics: comparison to NMR"
|
| 11:30 am - 12:15 pm | Francesca Massi (Columbia University)
"Temperature dependence of protein dynamics: studies with NMR spectroscopy and computer simulation"
|
| 12:15 pm | Discussion |
| 12:30 pm | Lunch |
| 1:30 pm - 4:00 pm | Free Time |
| 4:00 pm - 6:00 pm | Poster Session II: Even Numbered Posters |
| 6:00 pm | Dinner |
| 7:30 pm - 9:30 pm | Simulations and Interpretation of Solid State NMR |
| Discussion Leader: Ann McDermott (Columbia University) |
| 7:30 pm - 8:10 pm | Benoit Roux (Cornell Medical School)
"Atomic fluctuations and structure determination
of membrane protein by solid state NMR" |
| 8:10 pm - 8:50 pm | Robert Vold (College of William and Mary)
"Recent Progress in Solid State Dynamic Lineshape Simulations" |
| 8:50 pm - 9:25 pm | Niels Chr. Nielsen (University of Aarhus)
"Application of SIMPSON and SIMMOL for systematic
experiment design and data analysis in solid-state NMR spectroscopy" |
| 9:25 pm | Discussion |
| WEDNESDAY |
| 7:30 am - 8:30 am | Breakfast |
| 9:00 am - 12:30 pm | Frontiers in Spectral Processing and Interpretation |
| 9:00 am - 9:15 am | Discussion Leader: Martin Blackledge (CEA/CNRS) |
| 9:15 am - 10:00 am | Michael Nilges (Institut Pasteur)
"Inferential Structure Determination" |
| 10:00 am | Coffee Break |
| 10:45 am - 11:30 am | Torsten Herrmann (Scripps Research Institute)
"Recent developments in the field of automated
NMR data analysis"
|
| 11:30 am - 12:15 pm | David Wishart (University of Alberta)
"Single Spectrum Spectroscopy - Automated Approaches to Rapid Assignment and Structure Determination of Proteins"
|
| 12:15 pm | Discussion |
| 12:30 pm | Lunch |
| 1:30 pm - 6:00 pm | Free Time |
| 6:00 pm | Dinner |
| 7:30 pm - 9:30 pm | High Throughput: The Computational and Experimental Challenges |
| 7:30 pm - 7:45 pm | Discussion Leader: Edward Olejniczak (Abbott Laboratories) |
| 7:45 pm - 8:30 pm | John Markley (Univ. Wisconsin)
"Approaches to High-Throughput Solution Structure Determinations"
|
| 8:30 pm - 9:15 pm | Gaetano Montelione (Rutgers)
"Automated Protein Structure Analysis with AutoStructure
and AutoQF Software"
|
| 9:15 pm | Discussion |
| THURSDAY |
| 7:30 am - 8:30 am | Breakfast |
| 9:00 am - 12:30 pm | Emerging Structure Methods: Experimental and Computational Challenges 2 |
| Discussion Leader: Jim Prestegard (Univ. Georgia) |
| 9:00 am - 9:40 am | Justin Wu (NIH)
"Solution structure of gS-crystallin from residual dipolar couplings"
|
| 9:40 am - 10:20 am | Vitali Tugarinov (University of Toronto)
"Methyl-TROSY and selective labelling: approaches for large proteins" |
| 10:20 am | Coffee Break |
| 10:50 am - 11:30 am | Kevin Plaxco (UCSB)
"Spectroscopy, scattering and simulation; putting constraints on
denatured state structure" |
| 11:30 am - 12:10 pm | Alexandre Bonvin (Utrech University)
"NMR-based docking for the study of biomolecular complexes"
|
| 12:10 pm | Discussion |
| 12:30 pm | Lunch |
| 1:30 pm - 4:00 pm | Free Time |
| 4:00 pm - 6:00 pm | Poster Viewing and Software Demonstrations (TBA) |
| 6:00 pm | Dinner |
| 7:00 pm | GRC Business Meeting |
| 7:30 pm - 9:30 pm | NMR: Remaining Frontiers |
| 7:30 pm - 8:30 pm | Ad Bax (NIH)
"Limits in Weak Alignment NMR of Proteins and Nucleic Acids" |
| FRIDAY |
| 7:30 am - 8:30 am | Breakfast |
| 9:00 am | Departure |
