ARTEMIS Dataset: MI Matrices and Structures

ARTEMIS Dataset: MI Matrices and Structures This dataset provides Mutual Information (MI) matrices and molecular structures for five biomolecular systems (Glucokinase, CheY, HRas, Phosphatase, Hydrolase Inhibitor) analyzed in the ARTEMIS study. Archive Contents:- mi_maps.zip: Denoised MI matrices (JSON format) derived from all analyzed MD trajectories.- structures.zip: Equilibrated molecular structures (.gro format) used as starting configurations for production MD simulations. System Details:- Glucokinase (PDB ID: 1V4S, 448 residues, 2×10 µs)- CheY (PDB ID: 1F4V, 128-144 residues, 2×1 µs + 2×8 µs)- HRas (PDB ID: 3K8Y, 166 residues, 6×1 µs)- Phosphatase (PDB ID: 1PTY, 298 residues, 2×1 µs)- Hydrolase Inhibitor (PDB ID: 2GKR, 51 residues, 2×1 µs) Software:- Analysis performed using ARTEMIS v0.1.0.- MI calculations done via PARENT_GPU.- MD simulations: GROMACS 2022, Amber99SB-ILDN force field