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Catalytic Mechanism of the Enzyme Papain: Predictions with a Hybrid Quantum Mechanical/Molecular Mechanical Potential

✍ Scribed by Harrison, Martin J.; Burton, Neil A.; Hillier, Ian H.


Book ID
120286487
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
415 KB
Volume
119
Category
Article
ISSN
0002-7863

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Enzyme mechanisms with hybrid quantum an
✍ Kirsten P. Eurenius; David C. Chatfield; Bernard R. Brooks; Milan Hodoscek πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 884 KB

The application of hybrid quantum mechanical and molecular mechanical (QM/MM) potentials to the study of chemical reactions in enzymes is outlined. The discussion is general and addresses the difficulties encountered in an enzyme QM/MM study. First, general criteria for determining whether a particu