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COMPUTER SIMULATION OF AMPHIPHILIC AGGREGATES

$271,254R01FY2000GMNIH

University Of Pennsylvania, Philadelphia PA

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Abstract

DESCRIPTION (Adapted from abstract): Computer simulation studies of a variety of lipid assemblies with and without protein are proposed. Detailed potential models and high quality simulation accounting for quantum effects are included. The protein-lipid systems chosen are under current experimental investigation at University of Pennsylvania by Blasie, Opella, Degrado, and Lear. A focus is on simulating ion channels in realistic lipid bilayers.

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