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NTRC Conformational Transition

What we are interested in

Our group uses experimental and computational methods to study the structure, dynamics and activity of biomolecules. We combine NMR techniques, crystallographic data and computer simulation in order to obtain a comprehensive understanding of how and why enzymes function. Our concentration on atomic resolution details allows us to extract relevant and full information about the conformational dynamics of proteins.

Whereas for many enzymes the structures have been solved, very little is known about dynamic processes, which trigger catalysis. Our main goal is to characterize these motions in enzymes to provide a better understanding of the atomic events in enzyme catalysis as a function of time. We use NMR as a primary tool because it is an excellent method to measure dynamic processes ranging from picoseconds to days. We complement our experiments by computational techniques, namely, molecular dynamics simulations, which provide atomistic insight into the dynamics of macromolecules. Therefore, our long-term goal is to reveal the physical mechanism of transitions by combining experimental to computational methods.