Dubey_Lalit.pdf (15.16 MB)
Molecular Dynamics Studies of the PKCα-C2 Domain Bound to Mixed Lipid Membranes
thesisposted on 2015-07-21, 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.
AdvisorSchlossman, Mark L.
Degree GrantorUniversity of Illinois at Chicago
Committee MemberAnsari, Anjum Khalili-Araghi, Fatemeh Klie, Robert Cho, Wonhwa