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Binding free energy components (kcal/mol) for each of the dimers averaged over the 200 snapshots.

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Figshare2015-12-02 更新2026-04-29 收录
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Values in parentheses are standard errors of the means. Explanation for the abbreviations can be found in materials and methods. ΔGelec corresponds to sum of gas-phase electrostatic energy and polar solvation energy.
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2015-12-02
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