Proteins and Inorganic Crystals at Lipid/Water Interfaces

image019Description: This project investigates a) the mechanism of inflammatory diseases such as arthritis and pseudogout and b) the mechanism of protection of lipid membrane by antifreeze proteins. Our interest is to understand the mechanism of interaction of different molecules with lipid membranes.

Goals: The goals of this project are to apply computational techniques to determine the mechanisms of interaction. Specifically, we will use molecular mechanics and molecular dynamics methods to model the interaction between lipid and inorganic crystal such as Calcium Pyrophosphate Dihydrate (CPPD) in order to determine the molecular mechanism of pseudogout. On the other hand similar models involving lipid membranes will be developed to understand the protection offered by such proteins onto the membranes during thermal stress.

Publications

  • Wierzbicki, A. et al. Molecular dynamics simulations of crystal induced membranolysis. J. Phys. Chem. B 107, 12346-12351, 2003.
  • Dalal, P., et al. Molecular dynamics simulations of inhibition of crystal induced membranolysis. Manuscript in Preparation, 2004.
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