The two events of the present proposal will be the III and the IV edition of this biennial series of 'Advanced Computing in NMR Spectroscopy' at the Centro Risonanze Magnetiche (CERM), University of Florence. The main goal of these two practical training courses is to provide highly qualified training in NMR spectroscopy and in the related theoretical and computational approaches to study the structure and dynamics of biological macromolecules. This is of fundamental importance considering the flood of new biological macromolecules that will be available in the post-genomic era as a result of genome sequencing projects. Indeed, the genome of simple organisms is already available and it is foreseen that also the human genome will be completely sequenced by 2003. This opens tremendous opportunities to unravel the mechanisms at the basis of the life. However, these can be fully understood only through a detailed study of the structure and dynamics of the encoded proteins, of DNA and RNA, of their interactions, and of the complex regulation mechanisms. In this frame, NMR spectroscopy and the related computational methods provide excellent investigation tools.
The courses will be devoted to:
1) techniques for the analysis and the interpretation of NMR data with the ultimate goal of learning about the structural and dynamical properties of proteins and nucleic acids;
2) NMR techniques in combination with Molecular Dynamics (MD) methods to study functional properties and chemical behaviour of biological macromolecules.
The aim of the courses is to teach and to discuss the most advanced methodologies and software for an exhaustive NMR data analysis and for their elaboration. During the first event, the optimised methods for data collection and processing, and the computational methods for structure calculations will be presented, discussed, and used during the practical. The second event will be devoted to the methods for studying dynamical properties through computational and experimental approaches that will also be analysed throughout practical sessions.