Replica-Exchange with Solute Tempering (REST2) Simulations of Histone Tails

Replica at 300 K 1 bar 1 µs trajectories and corresponding parameter files for histone tails alone or with a DNA fragment. The parameter files containing IDP modification are indicated as "idp". With DNA fragment, the trajectories are given without solvent and ion and called "nosol".本数据集包含单独组蛋白尾部（histone tail）或其与DNA片段结合体系在300开尔文、1巴压强下、时长1微秒的分子动力学模拟复本轨迹，以及对应的参数文件。其中带有内在无序蛋白（Intrinsically Disordered Protein，IDP）修饰的参数文件以"idp"标识。当体系包含DNA片段时，所提供的轨迹未包含溶剂与离子，此类轨迹以"nosol"命名。