Date of Award

January 2015

Degree Type


Degree Name

Doctor of Philosophy (PhD)


Medicinal Chemistry and Molecular Pharmacology

First Advisor

Markus A Lill

Second Advisor

Elizabeth M Topp

Committee Member 1

Carol B Post

Committee Member 2

Chiwook Park

Committee Member 3

Daisuke Kihara


A computational method to model the steric zipper of amyloid fibrils (FibPreditor) is developed. The method generates an ensemble of structures for the steric zipper by a number of geometric operations and presents the most energetically favorable candidates as models of steric zipper. The method is shown to successfully reproduce a number of experimentally determined fibril structures.