Figure 5
From: New insights into the pro-oxidant mechanism of dehydroleucodine on Trypanosoma cruzi
Simulations of atomistic molecular dynamics. The radial distribution function of the distances between (b) DhL and Glutathione [(a)-black curve]; (c) DhL and Trypanothione [(a)-red curve] did not show significant differences. DhL, Trypanothione and Glutathione molecules were parameterized using LigParGen and Charmm-GUI. (d) Potential of mean force (PMF) calculations for DhL and GSH.
