For Lig-02 (7JRN) (cyan) although C-01 showed the longest residence time in the binding site with 118 ns, C-04 showed the lowest interaction energy with -63 kcal/mol and ranked 4 th according to the residence time with 55 ns. For Lig-03 (7RZC) (green), C-01 showed the longest residence in the binding site with 77 ns; however, cluster C-07 showed the lowest interaction energy with a value of -121 kcal/mol. Cluster representative C-01 for ligands, Lig-04 (7SDR) (magenta) and Lig-05 (7TZJ) (dark blue), showed the most stable conformation in the binding site by having the longest residence time (t) of 377 ns and 341 ns respectively. Also, C-01