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| System | Ligand (PDB code) | Receptor (modeled) | Complex (atoms) | POPC (lipids) | Total atoms |
| 1 | Monomeric CXCL-8 (3IL8) | CXCR1 | 4305 | 238 | 79778 |
| 2 | Dimeric CXCL-8 (1ILQ) | CXCR1 | 5052 | 238 | 77759 |
| 3 | Monomer CXCL-8 (3IL8) | CXCR1_mut | 4249 | 238 | 79148 |
Detailed simulation systems are listed herein including ligands, receptor, complex atoms, POPC lipids, and total atoms of the simulation box.
