Molecular dynamics simulation data of regulatory ACT domain dimer mutation (A47V) of human phenylalanine hydroxylase (PAH)

Raw data of molecular dynamics simulations of regulatory ACT domain dimer mutation (A47V). <strong>binding.zip</strong>: simulation of dimer with 19 Phe ligand <strong>bound.zip</strong>: simulation of dimer with bound Phe ligand <strong>dimer.zip</strong>: simulation of dimer only Simulation setup files are also included in each folder.调控型ACT结构域二聚体突变体（A47V）的分子动力学模拟原始数据。**binding.zip**：搭载19个苯丙氨酸（Phe）配体的二聚体模拟数据集；**bound.zip**：结合Phe配体的二聚体模拟数据集；**dimer.zip**：仅含二聚体的模拟数据集。每个文件夹中均包含模拟设置文件。