Capture of activated dioxygen intermediates at the copper-active site of a ly...

Molecular dynamics (MD) trajectories for lytic polysaccharide monooxygenases (LPMO) based on neutron structure. These simulations were performed using AMBER package (ff14SB...基于中子结构的裂解性多糖单加氧酶（lytic polysaccharide monooxygenases, LPMO）的分子动力学（MD）轨迹。本次模拟采用AMBER软件包（力场参数为ff14SB……）完成。