Principal components analysis of the Cα atoms of the AR conformational motions during simulation
The cloud represents the last 10 ns of trajectories projected onto the first two eigenvectors for the AR/testosterone (A), AR/HBP1-51 (B), AR/Enz (C), and AR/HBP1-58 (D). The distribution of dots indicates the conformational changes in the system, with each dot representing a snapshot from MD simulation trajectory. MD, molecular dynamics.