MD studies on L-Phe oxidase

L-Phe oxidase (PAO) contains FAD as cofactor and catalyzes the oxidation of L-Phe. In this companion paper, we performed the molecular dynamics study on the enzyme substrate complex, and showed the importance of the hydrogen bond formation in the PAO catalysis.L-苯丙氨酸氧化酶（PAO）以黄素腺嘌呤二核苷酸（FAD）作为辅因子，能够催化L-苯丙氨酸的氧化反应。在本姊妹论文中，我们针对该酶-底物复合物开展了分子动力学研究，并阐明了氢键形成在PAO催化过程中的重要作用。