Methodology Report
Studying Interactions by Molecular Dynamics Simulations at High Concentration
Figure 5
Distance versus time for selected pairs of atoms in the catalytic site: red: W126 HE1-C36 SG; yellow: Q71 HE2-C36 SG; blue: N127 HD2-C36 SG; green: N127 OD1-C36 HG; black: PEO H-N127 O; violet: PEO O-C36 SG.