Molecular Dynamics Studies on the Conformational Transitions of Adenylate Kinase: A Computational Evidence for the Conformational Selection Mechanism

<table>The RMS deviations of C<i>α</i> atoms from both open and closed conformation along the molecular dynamics trajectories. The open (4ake.pdb) and closed (1ake.pdb) conformations of ADK were specially labeled. The ribbon RMS deviation distribution indicated that large-scale conformational transitions were detected during our molecular dynamics simulations.</table>

BioMed Research International

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Figure 2

Figure 2: Molecular Dynamics Studies on the Conformational Transitions of Adenylate Kinase: A Computational Evidence for the Conformational Selection Mechanism 

Figure 2 | Molecular Dynamics Studies on the Conformational Transitions of Adenylate Kinase: A Computational Evidence for the Conformational Selection Mechanism 