General principles of binding between cell surface receptors and multi-specific ligands: A computational study
Fig 5
In order to investigate the functional role of binding site organization, four different topologies were designed.
Each topology includes two ligands B and two ligands D, as shown in the bottom row. The binding of all four types of topology were simulated. The average numbers of interactions between ligands and receptors are plotted as striped bars, while the deviations in total number of interactions are plotted as black bars. The first two topologies show similar average and deviation. Moreover, the fourth model has higher deviations than the third model, although they have very close average number of interactions.