MM/PBSA binding free energies (kJ/mol) of RIG1/dsRNA and MDA5/dsRNA complexes.

Figshare2015-12-02 更新2026-04-29 收录

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*Standard errors are indicated in parenthesis.ΔGcoul = Electrostatic energy.ΔGps = Polar solvation energy.ΔGpolar = Polar contribution (ΔGcoul+ΔGps).ΔGvdW = van der Waals energy.ΔGnps = Nonpolar solvation energy.ΔGnonpolar = Nonpolar contribution (ΔGnps+ΔGvdW).ΔGbind = Overall binding energy.

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2015-12-02