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Computational enzymology
1Department of Chemistry and Biochemistry, University of California Santa Barbara, Santa Barbara, CA 93106, USA. tcbruice@bioorganic.ucsb.edu
Current Opinion in Chemical Biology
|September 28, 2000
Abstract:
Recent advances in computational methods and the availability of fast, affordable computers have made the modeling of enzymatic reactions practical. The remaining challenges include achieving the accuracy level at which thermodynamic parameters and kinetic constants for different substrates, mutant enzymes, or in the presence of allosteric effectors can be predicted quantitatively.