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Molecular Dynamics Studies of the PKCα-C2 Domain Bound to Mixed Lipid Membranes

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posted on 21.07.2015, 00:00 authored by Lalit Dubey
Molecular Dynamics (MD) simulations employing both a full molecular membrane model (FM) and a highly mobile membrane mimetic model (HMMM), which equilibrates faster, were used to determine the configuration of the PKCα-C2 binding domain bound to a mixed PC/ PS membrane. Spontaneous binding was observed during the simulation. The final open-faced docking configuration provides an unconstrained path along the membrane for laterally diffusing lipids, like PIP2, to bind to either the exposed OH-moiety of Y195 or to the lysine rich cluster without severely altering the overall orientation of the domain.

History

Advisor

Schlossman, Mark L.

Department

Physics

Degree Grantor

University of Illinois at Chicago

Degree Level

Doctoral

Committee Member

Ansari, Anjum Khalili-Araghi, Fatemeh Klie, Robert Cho, Wonhwa

Submitted date

2015-05

Language

en

Issue date

21/07/2015