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Interaction potential energy of the molecular dynamics between the four best conformations of the pTTI with the enzyme trypsin.
| Conformer number | IPE (kcal.mol–1) |
|---|---|
| 177 | –172.8038 |
| 200 | –235.1159 |
| 287 | –301.0128 |
| 323 | –96.5838 |
IPE: interaction potential energy.
