Computer simulations and theoretical studies of protein translocation

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Dmitri Makarov of the University of Texas is funded by an award from the Theoretical and Computational Chemistry Program to study biological phenomena that involve the translocation of proteins through pores. Professor Makarov and his research group are developing computational tools and applying them to characterize the relationship between the structure of proteins and their resistance to co-translational unfolding. These computational studies complement recent single-molecule protein translocation experiments. An interdisciplinary workshop on single molecule dynamics that brings together theorists and experimentalists from a variety of disciplines is being planned.Advances in molecular level understanding of the mechanisms of protein translocation may have a broad impact in terms of understanding the diseases that are related to defects in translocation machinery.