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A similar observation can be made concerning the best poses: for most families, the programs succeeded for some targets but not for others, like the nuclear receptors (11 targets), with Surflex, and the proteases (6 targets), with Glide.
We all want to share our best poses for the digital world, but when it comes to the real world, there's just no time to share.
For clarity only the best poses for the two identified clusters of binding modes are shown.
In third step, we use trained SVM models to further select best poses for input proteins.
Finally, we use trained SVM models to further select best poses for each pair of input proteins.
This is one of the best poses for relieving tension in the back.
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They wore their Sunday best, posed for photos with their children, ate snacks, and drank soda and lemonade.
Figure 3 illustrates the best poses of Seq15_12_35 and Seq15_15_38 for docking with the Ang2 and shows amino acids involved in the binding interactions.
For instance, if we consider the two programs with comparable performances, namely Glide and Gold, whose best poses were correct for 79 and 77 targets, respectively, they have in common only 67 targets with correct poses, not 77 as could be expected.
Of these 10 docking poses, the best pose of OxA in OX1 was selected on the basis of the maximal number of interactions between SDM-validated key residues of OX2 and OxA responsible for OxA potency and efficacy.
Response: The Libdock scores for the best poses are in the '4IBI Libdock docking data best poses" file.
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