Fig. 8

Molecular interactions of the ligands (a) control, (b) 138,567,123, (c) 5,279,171, and (d) 129,130,827 with surrounding amino acid residue of the protein at the 100 ns time point of the simulation.

Molecular interactions of the ligands (a) control, (b) 138,567,123, (c) 5,279,171, and (d) 129,130,827 with surrounding amino acid residue of the protein at the 100 ns time point of the simulation.