Identifying USP1 Inhibitors with Allosteric Effect on Its Triple Catalytic Center through Virtual Screening

Table 2

Docking score, strain energy, and prime MM/GBSA binding energies for hits.

Compound ID	Docking score	Strain energy	Prime MM/GBSA
ML323	−10.197	5.511	−60.84
Z28551960	−10.203	1.272	−73.9
Z423064076	−10.529	1.136	−72.42
Z1037335610	−11.116	3.332	−82.44
Z1129923146	−10.475	0.75	−74.8