Table 4.

Energy scores derived from MD studies on Rev1-CT/Hit complexes.

Compound	VLJ[a] (kcal/mol)	Vc[b] (kcal/mol)	VLJ+VC[c] (kcal/mol)
4	−27.41 ± 4.1[d]	−6.65 ± 5.4	−34.07 ± 5.9
5	−23.92 ± 3.4	−9.92 ± 5.6	−33.84 ± 4.9
6	−21.75 ± 4.3	−14.06 ± 6.8	−35.18 ± 9.5
7	−27.17 ± 2.9	−13.02 ± 7.6	−40.29 ± 5.3
8	−24.13 ± 3.4	−7.36 ± 3.9	−31.49 ± 4.6
9	−25.59 ± 3.4	−9.36 ± 4.7	−34.95 ± 4.2
10	−23.37 ± 4.0	−8.17 ± 2.1	−31.54 ± 3.9
11	−25.65 ± 3.9	−6.12 ± 4.7	−31.78 ± 4.3

^[a]V_LJ = Lennard-Jones energy derived from van der Waals forces.

^[b]V_C = Electrostatic energy.

^[c]V_LJ +V_C = Total energy.

^[d]Values are average ± SD.