Transfer Free Energy and Building Blocks for Beta Barrel Membrane Proteins: Structures, Topology, and Stabilities Prediction

Monday, July 20, 2015 - 11:30am - 12:20pm
Lind 305
Jie Liang (University of Illinois, Chicago)
We discuss how to compute structures, assemblies, and thermodynamic
properties of beta barrel membrane proteins, as well as discovery of
building blocks of this class of protins that might be useful for
design of membrane proteins of desired conductance. Based on a model
of physical interactions, a discrete state space, and an empirical
potential function derived from detailed combinatorial analysis of
protein structures, as well as a model to account for inter-strand
loop entropy, we discuss prediction of structures of TM-segments and
loops, oligomerization states, protein-protein interaction interfaces,
transfer free energy scales, folding stability, and protein
topological orientation, as well as general stabilization strategies
that is applicable for design of stable bionanopore
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