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Simultaneous Determination of Protein Structure and Dynamics

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It is increasingly clear that the existence of the dynamic fluctuations inherent even in native protein structures is a very important aspect of many of their biological functions, for example ligand binding and enzyme catalysis. It is therefore of very great importance to be able to characterize such fluctuations at a high level of detail in order to understand the function of a protein. I will describe recently proposed procedures that include the explicit dynamical properties of individual residues in the process of protein structure determination, and that provide ensembles of conformations that represent with accuracy the dynamics of proteins.

This talk is part of the Computational and Systems Biology series.

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