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[2P-157] Mechanism of the product-assisted catalysis in threonine synthase: accurate free energy calculations

Shoji Mitsuo1,2, Ujiie Yuzuru1, Tanaka Wataru1, Kayanuma Megumi3, Umeda Hiroaki2, Shigeta Yasuteru1,2, Murakawa Takeshi4, Hayashi Hideyuki5 (1.Grad. Sch. Pure & Appl. Sci., Univ. Tsukuba, 2.CCS, Univ. Tsukuba, 3.Grad. Sch. Sys. & Info. Engi., Univ. Tsukuba, 4.Department of Biochemistry, Osaka Medical College, 5.Department of Chemistry, Osaka Medical College)

トレオニン合成酵素, ThrS, QM/MM, Free energy perturbation, product-assisted catalysis

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