Figure 6. Snapshots of a molecular dynamics simulation of the partially glycosylated dendrimer with human MD-2 obtained with Hex.

These figures show the molecule blocking the entrance to human MD-2's hydrophobic pocket. Top left and across the page to top right:- 0 ns; 0.8 ns and 1.6 ns. Bottom left and across the page to bottom right:- 2.4 ns; 3.2 ns and 4 ns. Human MD-2 is displayed as ribbons, the partially glycosylated dendrimer as tube, and the surface glucosamines as CPK.