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

<div>Snapshots from the thermal unfolding simulations for both complexes: (a) LRDPSO-docked complex; (b) LGA-docked complex. The receptor protein structure is represented in a new cartoon secondary structure style, and the ligand is represented in a Vdw style.</div>

Computational and Mathematical Methods in Medicine

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Figure 8

Figure 8: Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein 

Figure 8 | Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein 