Data1 for Measuring Differences in Protein Allosteric Graphs Constructed via Molecular Dynamics Simulations
Description
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.
Files
Institutions
- Boston University