Studying Interactions by Molecular Dynamics Simulations at High Concentration

<table>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.</table>

BioMed Research International

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Figure 5

Figure 5: Studying Interactions by Molecular Dynamics Simulations at High Concentration 