The Japanese Biochemical Society

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[1S08a-05] Reaction Mechanism of Sarcosine Oxidase with N-Cyclopropylglycine

Mitsuo Shoji1,2, Yukihiro Abe3, Kenji Mishima1, Yasuteru Shigeta1, Yoshiaki Nishiya4 (1.Center for Computational Science, University of Tsukuba, 2.JST PRESTO, 3.HPC Systems Inc., 4.Setsunan University)

キーテクノロジー:QM/MM

QM/MM、reaction mechanism、TDDFT、single electron transfer 、anime oxidase

mshoji@ccs.tsukuba.ac.jp

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