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Binding free energies (kcal/mol) of FGFR1-38 and FGFR2-38 systems computed by the MM-GBSA method.
| Complex | ΔEele | ΔEvdw | ΔGpol | ΔGnp | ΔGbinding |
|---|---|---|---|---|---|
| FGFR1-38 | −47.72 ± 3.00 | −18.60 ± 7.85 | 41.28 ± 6.18 | −5.82 ± 0.25 | −30.86 ± 3.73 |
| FGFR2-38 | −40.92 ± 3.09 | −46.93 ± 9.89 | 56.48 ± 8.03 | −5.27 ± 0.29 | −36.64 ± 4.39 |
ΔEele: electrostatic energy; ΔEvdw: Van der Waals energy; ΔGpol: polar contribution to solvation; ΔGnp: non-polar contribution to solvation; ΔGbinding: total binding free energy.
