Fig. 3

MD simulation analysis of the DHPS enzyme with different ligands: (a) RMSD, (b) RMSF, (c) Rg, (d) SASA, (e) PCA. Color code: Unbound DHPS (Black), Ligand MSID_000725 (Cyan), Ligand CID_291096 (Pink).

MD simulation analysis of the DHPS enzyme with different ligands: (a) RMSD, (b) RMSF, (c) Rg, (d) SASA, (e) PCA. Color code: Unbound DHPS (Black), Ligand MSID_000725 (Cyan), Ligand CID_291096 (Pink).