In Silico Identification of Potent PPAR-𝜸 Agonists from Traditional Chinese Medicine: A Bioactivity Prediction, Virtual Screening, and Molecular Dynamics Study

Figure 13

Variation of ligand torsion angles for each of PPAR-𝛾 complexes during 40 ns of MD simulation. Red and gray lines represent the ligand torsion angle at docking simulation and first conformation of MD simulation, respectively.