Data underlying the publication: Phosphorylation changes SARS-CoV-2 nucleocapsid protein's structural dynamics and its interaction with RNA

Supplementary data for the "Phosphorylation changes SARS-CoV-2 nucleocapsid protein's structural dynamics and its interaction with RNA" manuscript. In this work we performed 37 atomistic molecular dynamics simulations. The folders here contain for each simulation the initial configuration, the output of the energy minimization and equilibration procedure, and the PBC corrected and aligned skipped trajectories (10 ns between each frame). The full trajectories are available on request.

本数据集为《磷酸化修饰改变严重急性呼吸综合征冠状病毒2（SARS-CoV-2）核衣壳蛋白的结构动力学及其与核糖核酸（RNA）的相互作用》论文的补充数据。本研究共开展37次全原子分子动力学模拟。本次提供的文件夹按单次模拟分别存储初始构型、能量最小化与平衡流程的输出结果，以及经周期性边界条件（PBC）校正并对齐的间隔采样轨迹（每帧间隔10 ns）。完整轨迹可按需申请获取。