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Timestep and clustering of the coarse-grained molecular dynamics (CG-MD) simulations.
| Most Representative Conformation Timestep (ns) | |||||
|---|---|---|---|---|---|
| Complex | Cluster1 | Cluster2 | Cluster3 | Cutoff (nm) | Clusters |
| CXCR3-CXCL9 | 607.0 | 131.0 | 39.0 | 0.6 | 10 |
| CXCR3-CXCL10 | 787.9 | 159.6 | 51.2 | 0.6 | 10 |
| CXCR3-CXCL11 | 532.7 | 171.3 | 979.3 | 0.6 | 10 |
