Table 2.

The binding free energy changes and deviations in each ten (ns) interval. The energy values are presented in kcal/mol.

Nanoseconds	Pks13+BF3	Pks13+BF4	Pks13+BF8
10	−59.4 ± 149.6	−956.2 ± 586.2	−87.8 ± 235.6
20	−135.2 ± 235.5	−105.3 ± 387.4	−508.9 ± 245.1
30	−95.8 ± 269.3	−912.3 ± 189.3	−354.2 ± 245.3
40	−570.3 ± 684.2	−245.3 ± 245.6	−150.8 ± 250.4
50	−856.2 ± 345.6	−856.3 ± 409.8	−750.4 ± 150.6
60	−135.2 ± 248.6	−301.7 ± 204.8	−723.3 ± 523.6
70	−486.3 ± 367.3	−501.1 ± 193.5	−685.8 ± 351.2
80	−648.8 ± 385.2	−1101.3 ± 497.6	−289.7 ± 487.5
90	−329.2 ± 301.2	−687.5 ± 260.1	−350.4 ± 293.7
100	−300.8 ± 283.2	−423.4 ± 305.3	−145.8 ± 354.6