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Comput Struct Biotechnol J. 2012 Nov 30;2:e201209018. doi: 10.5936/csbj.201209018. eCollection 2012.

From Molecular Phylogenetics to Quantum Chemistry: Discovering Enzyme Design Principles through Computation.

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Pittsburgh Supercomputing Center, 300 South Craig Street, Pittsburgh, PA 15213 USA.
University of Michigan, Department of Chemistry and Biophysics, 930 North University Avenue, Ann Arbor, MI 48109 USA.


Bioinformatics; Enzyme Evolution; Hybrid Quantum Chemical/Molecular Mechanical Methods; Phylogenetics; Structure-Function Relationships

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