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

Table 4

The average number of hydrogen bonds in both complexes in different temperature simulations.

Complex	Average number (300 K)	Average number (400 K)	Average number (500 K)	Average number (600 K)
LRDPSO-docked complex	208	200	182	155
LGA-docked complex	216	198	185	156