Quantum Chemical Studies of Mechanisms for Metalloenzymes
نویسندگان
چکیده
منابع مشابه
[Quantum chemical studies on enzymatic reaction mechanisms].
Computer modeling of enzymes is a valuable complement to experiments. Quantum chemical studies of enzymatic reactions can provide a detailed description of the reaction mechanism and elucidate the roles of various residues in the active site. Different reaction pathways can be analyzed, and their feasibility be established based on calculated energy barriers. In the present thesis, density func...
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ژورنال
عنوان ژورنال: Chemical Reviews
سال: 2014
ISSN: 0009-2665,1520-6890
DOI: 10.1021/cr400388t