(emslcsd2462)Graphic Presentation and MD Simulations of Protein Interactions

This project will utilize molecular dynamics simulations to study the interactions between Cdc42 and one of its downstream effector-WASP in cellular signaling. MD calculations will be performed on the individual proteins-Cdc42 and W13(WASP fragment, and the protein complexes. Information on the equilibrium geometries and binding energies is expected to be extracted. The project will provide insight into the conformational changes and binding energetics of protein interactions.