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Many target proteins interact with a number of different partners and may possess multiple interaction sites.
The interaction sites are indicated by asterisks.
Quinoline is proposed to have two interaction sites (Fig. 2).
Secondly, the number of non-interaction sites is much more than interaction sites, which leads to a sample imbalance problem, and hence biased machine learning model with preference to non-interaction sites.
A hypothetical set of docked poses is shown around the edges, superimposed on the interaction sites.
The best pharmacophore model consists of four hydrophobic interaction sites and three hydrogen bond receptors.
These studies are based upon predicted interaction sites of isocitrate lyase (ICL) and isocitrate.
This approach may represent a general methodology for investigating other paralogous protein-protein interaction sites.
Several cholesterol interaction sites have been identified on the receptor that are reminiscent of nonannular sites.
(3) The spectrin repeats are important interaction sites for multiple structural and signalling proteins.
Finally random forest were trained on optimally selected training subsets to predict interaction sites.
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