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Polar and non-Polar MM-GBSA Energy Components Associated with the Complex Formation in Solution.

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Figshare2015-12-03 更新2026-04-29 收录
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aPolar energy components.bNon-polar energy components.cMean value ±standard deviation of the mean.dΔΔE stands for the difference between the energy component values of the same column.eΔΔEin = ΔE(PPE:ShPI-1/K13L)- ΔE(PPE:ShPI-1in) and ΔΔEup = ΔE(PPE:ShPI-1/K13L)-ΔE(PPE:ShPI-1up)Polar and non-Polar MM-GBSA Energy Components Associated with the Complex Formation in Solution.
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2015-12-03
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