Analysis of Enzymatic Reactions by Quantum Chemical Calculations
نویسندگان
چکیده
منابع مشابه
[Analysis of enzymatic reactions by quantum chemical calculations].
Density functional theory (DFT) is now extensively used as a research tool for the investigation of structure and reactivity of biological systems; however, its high computational demands still restrict the applicability of DFT to systems of a few tens up to one hundred atoms. A combined quantum mechanical/molecular mechanical (QM/MM) approach is applicable as an important method to study whole...
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ژورنال
عنوان ژورنال: YAKUGAKU ZASSHI
سال: 2012
ISSN: 0031-6903,1347-5231
DOI: 10.1248/yakushi.132.863