Figure 3 | Scientific Reports

Figure 3

From: Treatment of flexibility of protein backbone in simulations of protein–ligand interactions using steered molecular dynamics

Figure 3

Time-dependent force (upper-left) and time-dependent ligand's displacement (upper-right), time-dependent work (lower-left), and time-dependent RMSD (root mean square deviation) (lower-right). Results are randomly plotted from six representative trajectories under six different restrained methods of the 4JNJ system. Averaged values of rupture force and pulling work, obtained over 100 trajectories in six systems, are shown in the SI file.

Back to article page