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

<div>Plot of RMSD and the residue number of the docked complex in the MD simulated structures at different temperatures. (a) LRDPSO-docked complex and (b) LGA-docked complex.</div>

Computational and Mathematical Methods in Medicine

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Figure 3: Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein 

Figure 3 | Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein 