QM and QM/MM Methods Compared: Case Studies on Reaction Mechanisms of Metalloenzymes. [electronic resource]
Producer: 20160721Description: 187-224 p. digitalISSN:- 1876-1623
- 4-Hydroxyphenylpyruvate Dioxygenase -- chemistry
- AlkB Homolog 4, Lysine Demethylase
- Bacteria -- chemistry
- Bacterial Proteins -- chemistry
- Biocatalysis
- Cytochrome P-450 Enzyme System -- chemistry
- Dioxygenases -- chemistry
- Humans
- Hydroxylation
- Kinetics
- Molecular Dynamics Simulation
- Oxidoreductases -- chemistry
- Quantum Theory
- Stereoisomerism
- Substrate Specificity
- Thermodynamics
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Publication Type: Comparative Study; Journal Article; Research Support, Non-U.S. Gov't; Review
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