Figure 13 | Scientific Reports

Figure 13

From: Py-CoMFA, docking, and molecular dynamics simulations of Leishmania (L.) amazonensis arginase inhibitors

Figure 13

RMSD (Å) analysis relative to the atoms of 4h (A), 7g (B), and 7k (C) and Cα-RMSD analysis of the amino acid relative to complex with 4h (D), 7g (E), and 7k (F) in the LaARG model by molecular dynamics simulations in aqueous systems (200 ns), considering the initial ligand positions within the allosteric (black) or active (red) site. The red arrow highlights the ligand movement.

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