Table 5.
The complex's thermodynamic binding free energy profile.
| Energy Components (kcalmol−1) | |||||
|---|---|---|---|---|---|
| Complex | ΔEvdW | ΔEelec | ΔGgas | ΔGsolv | ΔGbind |
| Acarbose + α-Amylase | −54.154 | 15.846 | −38.307 | 16.101 | −22.206 |
| L1 + α-Amylase | −35.064 | 2.939 | −32.125 | 9.497 | −22.627 |
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