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Examination of the docking results revealed that TP5 was predicted to be optimal for binding into the cleft within the MHC molecules.
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Furthermore, examination of the density of transported and docked mitochondria shows that there is little difference between the levels of docked mitochondria, but a significant increase in the number of transported mitochondria (Fig. 8B).
To complete the examination of the conformational preferences of the studied compounds, molecular docking of azinesulfonamides was performed with the use of recently developed 5-HT7 and 5-HT1A homodels models, built on a dopaminergic D3 receptor template (PDB ID: 3PBL) [13, 26 31].
Dexcription of the Alice M. Moran, of the docking of the Normandie.
Both docking scores were within the standard error of the docking program suggesting similar binding affinities.
The reliability of docking results strongly depends on the quality of the docking methods.
For comparison and validation of the docking algorithms, docking simulations were performed also with palmitate.
The size of the docking grid was selected to cover the entire docking molecule.
Docking experiments for the same targets were performed to check reliability of the docking scores.
For negative controls of the docking we chose Grx5.
Andrea Coletta carried out all of the docking analysis.
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