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. 2023 Nov 17;13:20147. doi: 10.1038/s41598-023-46193-x

Table 4.

MMPBSA free binding energy of selected compounds.

S. No Complex VDW EEL EPB ENPOLAR EDIPER ΔPBSA
1 Reference − 29.1030 − 1.2460 15.3688 − 17.9212 34.7609 − 9.8027
2 5459840 − 29.6634 39.2518 − 11.9422 − 18.7723 32.7110 − 11.5849
3 ZINC47009207 − 43.4243 − 2.5194 16.7161 − 23.7484 43.3213 − 10.6547
4 Sa32 − 34.0802 − 140.0321 132.3842 − 24.8220 42.4582 − 24.0920
5 SANC00347 − 35.0421 − 3.3731 15.7086 − 21.1103 37.0142 − 7.8595