Data2 for Measuring Differences in Protein Allosteric Graphs Constructed via Molecular Dynamics Simulations
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https://data.mendeley.com/datasets/p2cvy8z9ms
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资源简介：
Molecular Dynamics Simulation Trajectory for the manuscript "Measuring Differences in Protein Allosteric Graphs Constructed via Molecular Dynamics Simulations"
1UBQ_WT_Charmm36m_trajectory_1.tar is used for the following sections: Different trajectory frame interval (timestep), Different significance threshold, and Different distance threshold.
1UBQ_WT_Charmm36m_trajectory_1.tar, 1UBQ_WT_Charmm36m_trajectory_2.tar, and 1UBQ_WT_Charmm36m_trajectory_3.tar are used for the Independent replicate simulations section.
1UBQ_WT_Charmm36m_trajectory_1.tar, 1UBQ_WT_Charmm36_trajectory.tar, and 1UBQ_WT_Amber_trajectory.tar are used for the Different force fields section.
1UBQ_WT_Charmm36m_trajectory_1.tar, 1UBQ_I3A_Charmm36m_trajectory.tar, 1UBQ_L15S_Charmm36m_trajectory.tar, 1UBQ_K33G_Charmm36m_trajectory.tar, 1UBQ_P38Q_Charmm36m_trajectory.tar, 1UBQ_E51D_Charmm36m_trajectory.tar, and 1UBQ_V70N_Charmm36m_trajectory.tar are used for the Different mutations section.
创建时间：
2026-01-19
