title: From Molecular Phylogenetics to Quantum Chemistry: Discovering Enzyme Design Principles through Computation.
authors.affiliation: Pittsburgh Supercomputing Center, 300 South Craig Street, Pittsburgh, PA 15213 USA.
authors.forename: Troy
authors.initials: T
authors.lastname: Wymore
authors.affiliation: University of Michigan, Department of Chemistry and Biophysics, 930 North University Avenue, Ann Arbor, MI 48109 USA.
authors.forename: Charles L
authors.initials: CL
authors.lastname: Brooks
keywords: Bioinformatics; Enzyme Evolution; Hybrid Quantum Chemical/Molecular Mechanical Methods; Phylogenetics; Structure-Function Relationships