Theoretical approaches for protein sequence ensembles with applications to design

Jeffery Saven
University of Pennsylvania
Department of Chemistry

Protein design opens new ways to study proteins and arrive at novel molecules, materials and nanostructures. Theoretical methods for identifying the properties of ensembles of amino acid sequences consistent with a desired structure and functional properties will be discussed.
Such methods
leverage concepts from statistical mechanics and address the structural complexity of proteins and their many possible amino acid sequences.  Computationally designed protein-based systems will be presented that have been experimentally realized.

Presentation (PDF File)

Back to Workshop IV: Physical Frameworks for Sampling Chemical Compound Space