Supplementary data for “Free aromatic amino acids remodel x-type high-molecular-weight glutenin subunits: Insights from molecular dynamics simulations”

Molecular dynamics simulation data for the interactions between free aromatic amino acids and x-type HMW-GS. This dataset contains representative protein and small molecules structures, molecular dynamics input parameters, topology files, and trajectory files supporting the study of interactions between free aromatic amino acids (phenylalanine, tryptophan, and tyrosine) and x-type high-molecular-weight glutenin subunits (Ax1, Bx7, and Dx2).本数据集为游离芳香族氨基酸与x型高分子量谷蛋白亚基（x-type HMW-GS）相互作用的分子动力学模拟数据。该数据集包含典型蛋白质与小分子结构、分子动力学输入参数、拓扑文件以及轨迹文件，可支撑游离芳香族氨基酸（苯丙氨酸、色氨酸与酪氨酸）与x型高分子量谷蛋白亚基（Ax1、Bx7与Dx2）之间相互作用的相关研究。