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Molecular dynamics simulations of compound 5 bound to PDB ID. 6lu7 (A), 6VYO (B), and 6W4H (C), and compound 13 bound to PDB ID. 6lu7 (D), 6VYB (E), and 6VYO (F). RMSD analysis of compounds 5 and 13 binding with their biotarget proteins showing the most stable ligand conformers.
