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Conference Program
 
Computational Aspects - Biomolecular NMR
May 18-23, 2008
Renaissance Tuscany Il Ciocco Resort
Lucca (Barga), Italy

The Gordon Research Conference on Computational Aspects of Biomolecular NMR provides a unique forum to discuss newly emerging computational and experimental methods that will drive NMR applications toward ever more complex and challenging biomolecular systems.

Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful and versatile biophysical techniques for studying biomolecules. Progress in the development of faster and more accurate tools, and of novel approaches to probe hitherto inaccessible aspects of biomolecular processes and function, has regularly resulted directly from advances in computational methodology. This applies to the design and implementation of acquisition and processing schemes for multidimensional data, to novel approaches for accelerated and automated structure determination, and to computational approaches to the dynamic interpretation of NMR parameters, such as spin relaxation and dipolar couplings. We will also have a session on the increasing role of NMR in the emerging field of Systems Biology including metabolomics. The conference will focus on the most recent developments in the field, with sessions and discussions devoted to some of the most exciting and topical aspects of biomolecular NMR, animated by world leaders in the respective sub-fields.

The assembly of a prominent speaker list along with the small format of the conference will provide unique opportunities for graduate students and postdocs for discussions of their research with leaders in the field. Extensive poster sessions will be held to facilitate this process. Moreover, we have reserved twelve 20 minute slots for posters that will be upgraded to oral presentations with the idea to give many young scientists an opportunity to present their work to this audience. Thus, the educational opportunities at this meeting will be unique and we hope that many young scientists will take advantage.


Contributors

SUNDAY
4:00 pm - 9:00 pmArrival and Check-in (Office Closed 6:00 pm - 7:45 pm)
6:00 pmDinner
7:30 pm - 7:50 pmWelcome / Introductory Comments by GRC Site Staff and Chair
7:50 pm - 9:30 pmPerspectives on NMR in Structural and Systems Biology
Discussion Leader: Rafael Brüschweiler
7:50 pm - 8:30 pm Lewis Kay (University of Toronto)
"Seeing the invisible with NMR spectroscopy"
8:30 pm - 8:40 pm Discussion
8:40 pm - 9:20 pm Jeremy Nicholson (Imperial College, London)
"Structure and pathway information recovery from biological NMR spectroscopic data"
9:20 pm - 9:30 pm Discussion
MONDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmNew Approaches in Rapid Multi-Dimensional NMR: Acquisition, Processing, Automation
Discussion Leader: Christina Redfield
9:00 am - 9:25 am Thomas Szyperski (SUNY Buffalo)
"Advances in GFT projection NMR spectroscopy"
9:25 am - 9:35 am Discussion
9:35 am - 10:00 am Jeffrey Hoch (University of Connecticut)
"Optimal strategies for sparse sampling"
10:00 am - 10:10 am Discussion
10:10 am - 10:35 am Martin Billeter (Goteborg University)
"Multi-way decomposition for complete assignment and structure of proteins"
10:35 am - 10:45 am Discussion
10:45 am - 11:15 am Coffee Break / Group Photo
11:15 am - 11:40 am Bernhard Brutscher (IBS Grenoble)
"Tools for fast data acquisition and analysis in protein NMR spectroscopy"
11:40 am - 11:50 am Discussion
11:50 am - 12:05 pm Victor Jaravine (Goteborg University)
"Hyper-dimensional real-time NMR spectroscopy in structural genomics"
12:05 pm - 12:10 pm Discussion
12:10 pm - 12:25 pm Krzysztof Kazimierczuk (University of Warsaw)
"What can multidimensional Fourier transform do?"
12:25 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time / Excursion
4:00 pm - 5:30 pmPoster Session [PDF]
5:30 pm - 7:30 pmNMR of Partially Folded, Unfolded and Misfolded proteins
Discussion Leader: Stephan Grzesiek
5:30 pm - 5:55 pm Julie Forman-Kay (Hospital for Sick Children, Toronto)
"Characterization of the intrinsically disordered protein ensembles and their interactions in biological regulation"
5:55 pm - 6:05 pm Discussion
6:05 pm - 6:30 pm Martin Blackledge (IBS Grenoble)
"NMR characterization of conformational disorder in unfolded and partially folded proteins"
6:30 pm - 6:40 pm Discussion
6:40 pm - 7:05 pm Peter Wright (The Scripps Research Institute, La Jolla)
"Mapping protein folding landscapes by NMR: new insights into folding intermediates"
7:05 pm - 7:15 pm Discussion
7:15 pm - 7:25 pm Jeff Peng (U. of Notre Dame)
"A site-to-site communication mechanism within modular proteins?"
7:25 pm - 7:30 pm Discussion
8:00 pmDinner
TUESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmNMR Opportunities in Metabolomics/Metabonomics
Discussion Leader: Jeremy Nicholson
9:00 am - 9:25 am David Wishart (University of Alberta)
"Automated metabolite identification and quantification by NMR"
9:25 am - 9:35 am Discussion
9:35 am - 10:00 am Art Edison (University of Florida)
"The life of a worm: sex, food, and starvation - the role of small molecules in the ecology of C. elegans"
10:00 am - 10:10 am Discussion
10:10 am - 10:35 am Jules Griffin (University of Cambridge, UK)
"Application of NMR spectroscopy based metabolomics to understanding the regulation of systemic metabolism"
10:35 am - 10:45 am Discussion
10:45 am - 11:15 am Coffee Break
11:15 am - 11:40 am Gerhard Wagner (Harvard University)
"Metabolic changes due to expression of oncogenes"
11:40 am - 11:50 am Discussion
11:50 am - 12:05 pm John Markley (U. of Wisconsin, Madison)
"BMRB database for metabolites and other small molecules of biological importance"
12:05 pm - 12:10 pm Discussion
12:10 pm - 12:25 pm Leo Cheng (Harvard Medical School)
"Metabolomic imaging in medicine"
12:25 pm - 12:30 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time / Excursion
4:00 pm - 5:30 pmPoster Session [PDF]
5:30 pm - 7:30 pmExploring the Potential of Ultra-Fast/Ultra-High Sensitivity NMR
Discussion Leader: Thomas Szyperski
5:30 pm - 5:55 pm Lucio Frydman (Weizmann Institute)
"Some unusual experiments at the interface of NMR, EPR and MRI"
5:55 pm - 6:05 pm Discussion
6:05 pm - 6:30 pm Ulrich Guenther (NMR Center Birmingham, UK)
"New methods for DNP-NMR in biological applications"
6:30 pm - 6:40 pm Discussion
6:40 pm - 6:55 pm Christian Griesinger (MPI Goettingen)
"Towards a shuttle DNP spectrometer"
6:55 pm - 7:00 pm Discussion
7:00 pm - 7:15 pm Silvia Cavagnero (U. of Wisconsin, Madison)
"Photo-CIDNP-based enhancement of 1H and 15N polarization in heteronuclear NMR"
7:15 pm - 7:20 pm Discussion
8:00 pmDinner
WEDNESDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmQuantitative Computational Approaches to the Prediction of Protein Structure and Dynamics
Discussion Leader: Martin Billeter
9:00 am - 9:25 am Carlos Simmerling (SUNY, Stony Brook)
"Challenges and successes in the comparison of atomic-level simulations to experimental data"
9:25 am - 9:35 am Discussion
9:35 am - 10:00 am Art Palmer (Columbia U.)
"Protein dynamics: experiment and theory on fast and slow timescales"
10:00 am - 10:10 am Discussion
10:10 am - 10:35 am Valerie Daggett (University of Washington)
"Dynameomics"
10:35 am - 10:45 am Discussion
10:45 am - 11:15 am Coffee Break
11:15 am - 11:30 am Scott Showalter (Florida State University and NHMFL)
"Dynamic control of ligand binding modes of the p53-binding cleft in MDM2"
11:30 am - 11:35 am Discussion
11:35 am - 11:50 am Matthias Buck (Case Western Reserve U., Cleveland)
"Using an ensemble approach in the refinement of an NMR derived structure. Comparison with the x-ray structure and molecular dynamics calculations"
11:50 am - 11:55 am Discussion
11:55 am - 12:10 pm Kresten Lindorff-Larsen (D.E. Shaw Research)
"Evaluating molecular mechanics force fields by comparison with NMR experiments"
12:10 pm - 12:15 pm Discussion
12:30 pmLunch
1:30 pm - 5:30 pmFree Time / Excursion
5:30 pm - 7:30 pmProtein Structure and Dynamics by Solid State NMR
Discussion Leader: Joshua Wand
5:30 pm - 5:55 pm Chad Rienstra (University of Illinois, Urbana-Champaign)
"Can magic-angle spinning NMR protein structures exceed the quality of crystallography and solution NMR?"
5:55 pm - 6:05 pm Discussion
6:05 pm - 6:30 pm Bernd Reif (FMP, Berlin)
"Characterization of dynamics in rotating solids using perdeuterated proteins"
6:30 pm - 6:40 pm Discussion
6:40 pm - 7:00 pm Gianluigi Veglia (U. of Minnesota)
"Hybrid solution and solid-state NMR approach to determine the high-resolution structure and topology of membrane proteins"
7:00 pm - 7:10 pm Discussion
7:15 pm - 8:00 pmBusiness Meeting
(Nominations for the next Vice Chair; Fill out Conference Evaluation Forms; Discuss future Site & Scheduling preferences; Election of the next Vice Chair)
8:00 pmDinner
THURSDAY
7:30 am - 8:30 amBreakfast
9:00 am - 12:30 pmUnique NMR Insights on Biomolecular Dynamics in Solution
Discussion Leader: James Prestegard
9:00 am - 9:25 am Ad Bax (NIH)
"Chemical shifts, dipolar couplings, and what to do with it all"
9:25 am - 9:35 am Discussion
9:35 am - 10:00 am Bertil Halle (Lund University)
"Nanosecond to microsecond protein dynamics probed by magnetic relaxation dispersion of buried water molecules"
10:00 am - 10:10 am Discussion
10:10 am - 10:35 am Joshua Wand (University of Pennsylvania)
"Towards a quantitative dynamical proxy for protein conformational entropy"
10:35 am - 10:45 am Discussion
10:45 am - 11:15 am Coffee Break
11:15 am - 11:40 am Dorothee Kern (Brandeis University)
"Pathways of conformational transitions elucidated by pressure NMR and MD"
11:40 am - 11:50 am Discussion
11:50 am - 12:15 pm Hashim Al-Hashimi (University of Michigan)
"Visualizing motions in RNA by NMR"
12:15 pm - 12:25 pm Discussion
12:30 pmLunch
1:30 pm - 4:00 pmFree Time
4:00 pm - 5:30 pmPoster Session [PDF]
5:30 pm - 7:30 pmBiomolecular Complexes and Interactions
Discussion Leader: Peter Wright
5:30 pm - 5:55 pm Christina Redfield (University of Oxford)
"NMR studies of the bacterial disulfide oxidoreductase, DsbD"
5:55 pm - 6:05 pm Discussion
6:05 pm - 6:30 pm Claudio Luchinat (University of Florence)
"Inter-domain and inter-molecular structural relationships probed by paramagnetic metal ions in solution and in the solid state"
6:30 pm - 6:40 pm Discussion
6:40 pm - 6:55 pm Smita Mohanty (Auburn University)
"Structural basis for the function of yeast oligosaccharyltransferase subunits: Ost4p and Stt3p"
6:55 pm - 7:00 pm Discussion
7:00 pm - 7:25 pm James Prestegard (University of Georgia)
"Structures of proteins and protein-carbohydrate complexes from sparse labeling and paramagnetic constrains"
7:25 pm - 7:30 pm Discussion
8:00 pmDinner
FRIDAY
7:30 am - 8:30 amBreakfast
9:00 amDepart

 
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