Theoretical Studies of Self-Assembly of Peptide Amphiphile Nanostructures

Dr. Stefan Tsonchev

Department of Chemistry

Northeastern Illinois University

The self-assembly of supramolecular nanostructures has been studied using a combination of methods, including mathematical modelling, Monte Carlo and molecular dynamics simulation. These methods have been applied to a new class of self-assembling amphiphiles. They have allowed the determination of the major forces leading to self-assembly, as well as the relationship between the molecular characteristics of the precursors and the detailed structure of the resulting assembly.