Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein

<div>Changes in the hydrogen bond number with respect to simulation time at four different temperatures. Red represents the LRDPSO-docked complex and blue represents the LGA-docked complex. (a) 300 K. (b) 400 K. (c) 500 K. (d) 600 K.</div>

Computational and Mathematical Methods in Medicine

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Figure 7

Figure 7: Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein 

Figure 7 | Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein 