Understanding the Catalytic Mechanism of Xanthosine Methyltransferase in Caffeine Biosynthesis from QM/MM Molecular Dynamics and Free Energy Simulations

Ping Qian, Hao-Bo Guo, Yufei Yue, Liang Wang, Xiaohan Yang, Hong Guo. Understanding the Catalytic Mechanism of Xanthosine Methyltransferase in Caffeine Biosynthesis from QM/MM Molecular Dynamics and Free Energy Simulations. Journal of Chemical Information and Computer Sciences, 56(9):1755-1761, 2016. [doi]

Abstract

Abstract is missing.