Table 4.
Differences in Substrate and Inhibitor Binding Energies for SHV-1 and Asn276Asp
| ΔΔG (kcal/mol) | |
|---|---|
| β-Lactam Substrates | |
| ampicillin | −0.18 |
| piperacillin | + 0.18 |
| cephalothin | + 0.62 |
| Inhibitors | |
| clavulanate | + 1.00 |
| achiral cephalothin BATSI | −0.09 |
| chiral cephalothin BATSI | + 1.02 |
| methylidene penem | + 0.34 |
| meropenem | + 2.26 |