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. 2022 Jul 24;11(8):993. doi: 10.3390/antibiotics11080993

Table 1.

The grid box parameter (center and size) and docking binding affinity (Kcal/mL) of GINK and SOTE for five E. faecalis virulence factor proteins.

Receptor Grid Box (x, y, z) Affinity (kcal/mol)
Center Size GINK SOTE
CylR2 23.43, −4.93, 12.79 20.0, 20.0, 15.0 −7.4 −7.5
ACE19 3.4, −12.7, 83.3 25.9, 24.9, 22.8 −7.4 −7.6
PrgB 36.8, 23.3, 20.6 52.8, 66.1, 61.1 −8.9 −9.6
EFGE −0.6, −1.8, 3.1 33.7, 34.1, 32.3 −9.5 −9.9
ESP 0.9, −4.0, 0.1 41.6, 45.3, 47.3 −10.7 −11.1