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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aThe trajectories are classified into three groups: A) RMSD<2.0 Å and 2≤αHBs≤6, B) RMSD≥2.0 Å and 1≤αHBs≤4, and C) RMSD≥4.0 Å and αHBs≈0. bMean 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.
创建时间：
2011-03-07
