Computational Design of Peptide-Based Materials  With Maximum Entropy Molecular Simulation  And Data-Driven Modeling

This Graduate Seminar talk will be hosted by the Department of Chemical and Petroleum Engineering. 

Andrew White
Assistant Professor, Department of Chemical Engineering
University of Rochester

Abstract: Peptides are small proteins built from monomer units called amino acids. Peptides can be precisely synthesized using solid-phase peptide synthesis and their constituent amino acids can provide functional groups ranging from hydrogen bond-donors to aromatics. Peptides can be immobilized onto surfaces, nanoparticles, or formed into hydrogels. This flexibility and precise control give a wide-range of potential applications including self-assembling antifouling surface coatings, antimicrobial therapeutics, hydrogel vaccines, and nucleating crystal structures. In this talk, I will present computational methods my group has used to design peptides for antifouling, antimicrobial, and self-assembly...more