Table 2.
Coordinate Sets and Ligands used in MD Studies
| Coordinate set | PDB Code | Ligand | Total Atoms | Production Run |
|---|---|---|---|---|
| GCD2 | 1G9N | CD4 | 94345 | 30ns |
| GCD3 | 2I5Y | CD4M47-biphenyl | 95047 | 30ns |
| GPO3_NBD | 2I5Y | NBD-556 docked | 71019 | 30ns |
| GPO3 | 2I5Y | None | 71007 | 30ns |
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