Figure 4
From: Large-scale molecular dynamics simulation: Effect of polarization on thrombin-ligand binding energy
(A) The native structure of thrombin and L86, (B) the simulated final structure using AMBER, and (C) the simulated final structure using PPC. L86 is displayed using stick representation, thrombin is displayed using surface representation and the residues forming hydrogen bonds with L86 are shown as a ball-and-stick model.
