MM-PBSA free energy (kcal·mol−1) components for the Smadn+DNA+Smadn models.
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aThe values in parentheses are the calculated standard errors.ΔGnp = ΔEvdw+ΔGnp/solv.ΔGpb = ΔEele+ΔGpb/solv.ΔGbinding = ΔGnp +ΔGpb –ΔTS. = ΔHbinding –ΔTS.
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2015-12-02
