Figure 1.

Ribbon representations of 3-D conformations of the MTB’s InhA enzyme receptor. The crystal structure (PDB ID: 1ENY) is coloured in orange. The other four conformations are averaged snapshots extracted from regions of a 3,100 ps MD simulation [31] trajectory of the InhA receptor. From 0.0 to 500 ps (cyan); 500 to1,000 ps (blue), 1,000 to 1,500 ps (magenta), and from 1,500 to 2,000 ps (green).