| MD | molecular dynamics |
| n.occ. | number of occurrences |
| OppA | oligopeptide-binding protein A |
| QSAR | quantitative structure-activity-relationship |
| TI | thermodynamic integration |
| MD | molecular dynamics |
| n.occ. | number of occurrences |
| OppA | oligopeptide-binding protein A |
| QSAR | quantitative structure-activity-relationship |
| TI | thermodynamic integration |