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Research Abstracts Online
January - December 2011

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University of Minnesota Twin Cities
College of Biological Sciences
Medical School
Department of Biochemistry, Molecular Biology, and Biophysics

PI: Gianluigi Veglia, Associate Fellow

Structural Modeling and Molecular Dynamics Simulations of Membrane Proteins Complexes

Membrane proteins play vital roles in many cellular processes such as cell fusion, signal transduction, ion translocation, and homeostasis, among others. To correlate membrane protein structure to function, it is necessary to understand membrane protein dynamics within their native environments. These researchers use nuclear magnetic resonance (NMR) spectroscopy, a structural approach that is amenable to studying membrane proteins in lipid environments. However, NMR does not provide a comprehensive (atomic) view of the interactions of these proteins with the lipid membranes and necessitates computational approaches to model membrane protein structures and to study their dynamics in explicit lipid membranes. The researchers use MSI resources in order to perform structural modeling and molecular dynamics simulations of three crucial cardiac proteins (phospholamban, the SR-Ca2+ATP-ase, and protein kinase A) in their native lipid environment.

Group Members

Fa-An Chao, Graduate Student
Kim Ha, Graduate Student
Larry Masterson, Graduate Student
Kaustubh Rajeev Mote, Graduate Student
Meng Shi, Undergraduate Student
Lei Shi, Graduate Student
Nathan Traaseth, Graduate Student
Yi Z. Wang, Undergraduate Student