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. 2024 May 31;15(3):286–295. doi: 10.1016/j.jtcme.2024.05.009

Table 2.

The binding energies and offset of center grid box.

Protein PDB ID Binding energy (kcal/mol) X center Y center Z center
TNF 2az5 −6.43 −0.389 −0.889 8.194
HSP90AA1 3o0i −9.39 −4.417 1.944 2.306
ESR1 2r6w −5.48 12.000 8.889 0.972
HIF1A 4h6j −4.78 5.333 1.778 −0.556