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. 2023 May 8;63(10):2918–2927. doi: 10.1021/acs.jcim.2c01287

Table 5. Average ΔGbinding and ΔΔGbinding Values for the Crystal Structure dBET6, Redocked dBET6, and Generated Linker with Best Chemical Properties.

Compound name ΔGbinding (kcal/mol) ΔΔGbinding (kcal/mol)
dBET6 (crystal pose) –45.17 ± 5.77 –
dBET6 (redocked pose) –39.82 ± 5.02 5.35
6BOY_1268 –45. 91 ± 4.78 -0.74