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Average RMSD (in Å) and average number of αHBs during the last 2 ns of 20 ns of the MD simulations calculated for ML at 360 K.

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Figshare2015-12-02 更新2026-04-29 收录
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aThe trajectories are classified into three groups: A) RMSDbMean values were calculated by using the five average values obtained for each model.cStandard deviation (SD) were calculated by using the five average values obtained for each model.

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2015-12-02
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