How similar are enzyme active site geometries derived from quantum mechanical theozymes to crystal structures of enzyme-inhibitor complexes? Implications for enzyme design
Author:
Publisher
Wiley
Subject
Molecular Biology,Biochemistry
Reference85 articles.
1. Using theozymes for designing transition-state analogs for the intramolecular aldol reaction of δ-diketones;Arnó;Int. J. Quantum Chem.,2001
2. Theozyme for antibody aldolases. Characterization of the transition-state analogue;Arnó;Org. Biomol. Chem.,2003
3. Analysis of catalytic residues in enzyme active sites;Bartlett;J. Mol. Biol.,2002
4. A theoretical study of the initial stages of catalysis in the aspartic proteinases;Beveridge;J. Mol. Struct.,1998
5. Rapid screening of the aglycone specificity of glycosidases: Applications to enzymatic synthesis of oligosaccaharides;Blanchard;Chem. Biol.,2001
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