Skip to main content
. 2016 Aug 17;8(1):248–267. doi: 10.18632/oncotarget.11335

Figure 1. Analysis of molecular dynamics simulation for various complexes.

Figure 1

(A) Binding energy for various systems i.e. binary complex TRAIL-DR5, ternary complexes Fab-TRAIL-DR5, QC-TRAIL-DR5 and QC-TRAIL-Mutated-DR5. (B) Hydrogen bonds occupancy for the QC interaction with residues of TRAIL and DR5 over the last ns trajectory in the ternary complex QC-TRAIL-DR5. (C) QC binds near the TRAIL-DR5 interface. (D) The molecular recognition interactions of QC in TRAIL-DR5 complex. (E) Hydrogen bond occupancy analysis between DR5 residues and TRAIL residues (x-axis) in the three complexes.