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MD trajectory analysis of the inactive (1R0P) and active (2RFS) conformation of c-Met
| Rg (nm) | Intermolecular H-Bond | Occupancy (%) | |
|---|---|---|---|
| 1R0P | 2.077 ± 0.013 | – | – |
| 1R0P-ZINC08234189 | 2.051 ± 0.013 | K1110:NZ::O1 | 79.12 |
| 1R0P-ZINC03871891 | 2.073 ± 0.013 | R1227:O::O3 R1227:O::O4 | 94.91 64.84 |
| 2RFS | 1.931 ± 0.010 | – | – |
| 2RFS-ZINC08234189 | 1.921 ± 0.014 | M1160:N::O4 P1158:O::O5 | 85.22 85.12 |
| 2RFS-ZINC03871891 | 1.954 ± 0.010 | M1160:N::O4 | 52.25 |
