Energy items (kJ/mol)

Complex

MTHFD1-DS44960156

MTHFD2-DS44960156

$\Delta E_{vdw}$

−125.900 ± 7.135

−147.832 ± 5.567

$\Delta E_{ele}$

−31.892 ± 5.426

−62.591 ± 4.586

$\Delta G_{GB}$

101.347 ± 13.105

110.361 ± 4.637

$\Delta G_{SA}$

−14.342 ± 0.711

−19.305 ± 0.802

$-T\Delta S$

25.342 ± 2.353

20.798 ± 3.653

$\Delta G_{bind}$

−39.646 ± 9.842

−92.396 ± 6.892