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Root mean square deviations (RMSDs) trajectories derived from molecular dynamics (MD) simulation of the LBD-sulfamerazine complex apo form (no ligand). The system is well equilibrated as the average deviation was observed to follow the similar pattern in both the trajectories during the latter half of the MD simulation. The complex form showed higher RMSD during 40–45 ns, however, it converged for the last 5 ns, forming a stable complex with sulfamerazine.
