Exact(29)
Docking the dataset (bioactives and decoys) into the protein target prepared with the same preparation scheme is a "matched" experiment, whereas, different preparation schemes for target and dataset will be called a "mismatched" experiment.
For some examples the docking performance was affected dramatically by the different preparation schemes.
Table 4 Overview of Maestro and MOE preparation schemes for targets and datasets.
Figure 2 Preparation schemes of the porous supports bearing lipid membranes.
Identical preparation schemes applied to the two materials yield nanostructures with remarkably different geometrical properties.
Analysis of the decoys behavior between the two preparation schemes agreed widely with the general findings observed for the bioactives.
Similar(31)
Maestro preparation scheme: All molecules of the datasets were prepared by LigPrep (version 2.4) [54].
The process of preparing the nanobrush was described in Fig. 1. Figure 1 Preparation scheme of magnetic nanobrush.
This suggests that the GOLD screening performance does not generally depend on a particular preparation scheme.
Thus an efficient preparation scheme is desired in order to actively reduce this initial signal fluctuation.
More importantly, this preparation scheme can be extended for the preparation of other multi-component nano alloy catalysts.
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