Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful biophysical techniques for studying biomolecular structure, function and dynamics. This proposal requests partial support for a Gordon Research Conference on """"""""Computational Aspects of Biomolecular NMR"""""""" to be held in Il Ciocco, Italy, May 22-27, 2011. The broad and long-term goal of this conference is to foster exchange between computational and experimental scientists in order to advance the field of NMR spectroscopy as applied to biomolecules. Spectacular progress in NMR to probe hitherto inaccessible aspects of biomolecular behavior has regularly resulted from the combination of new computational methodology and new experimental techniques.
The specific aims of this meeting will be to convene 40 speakers and a total of 150 researchers for a five-day conference in a relatively isolated setting. The program will have nine main topics that cover cutting-edge advances in biomolecular NMR spectroscopy, compare computer simulations of biomolecular behavior with experimental results and explore the potential of combining NMR with complementary techniques. Specific sessions will be held on structure determination of large proteins and complexes, disordered proteins, connecting structure and dynamics with function, improvements in solids NMR methods, new data form paramagnetic centers, integrating NMR data with SAXS, X-ray crystallography, and EPR, analysis of internal molecular dynamics, improved data analysis and processing methods, and improvements in NMR sensitivity. Additional poster sessions will permit all participants to contribute to these topics. In recent years, Europe has made enormous scientific contributions and investments into the field of biomolecular NMR. Thus, the conference location in Italy is ideally suited for sharing new developments between European, North American, Asian and Australian scientists. The significance of this conference stems from the fact that it is the only one that brings together NMR and non-NMR experimental scientists with computational scientists in order to discuss and advance a field that has broad applications in basic and applied biomedical research. Such advances are expected to yield new and better methods for characterizing and understanding biomolecular properties and function. Specific biomedical applications comprise identification and characterization of drug targets, drug screening and metabolomics.
Knowledge of the shape and motions of biomacromolecules is a prerequisite for understanding biomolecular function both in healthy and pathological situations. NMR spectroscopy, which yields unique insights in this respect, relies on many increasingly sophisticated computational methods to determine biomolecular structures, their complexes and dynamics. Advances in these areas, covered by this conference, will provide the tools necessary to identify and understand the function of drug targets, screen for drugs and optimize drugs for a wide range of diseases.