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Docking result showed the interaction between sinapic acid and HMG-CoA reductase.
From the molecular docking result we concluded that the conformation space generated by deformation of the flexible residue Phe31 is favorable for the binding of the spiro-ring, and inserting heteroatom into spiro ring might increase the binding affinity.
In addition, results from molecular docking result indicated that the binding modes of 6e and 6i at the active site of the EcR subunit of the heterodimeric receptor were similar to that of the bound tebufenozide.
Molecular docking result of the riluzole, the only drug approved by FDA for amyotrophic lateral sclerosis (ALS), indicated that the orientation 2 is preferred due to the presence of OCF3 group in R1 situation at 6th position of benzothiazole ring, while with replacement of OCF3 group by CF3, the orientation 1 is observed.
population of clusters with the accurate docking result.
The conformer with the highest score was taken as the docking result [20].
Similar(29)
The results (docking results) are the best FEB value for each docked snapshot.
Docking results revealed that the anti-inflammatory activities of compounds correlated with their docking results.
Hwang H, Vreven T, Weng Z. Binding interface prediction by combining protein-protein docking results.
There was a good correlation between QSAR and docking results.
The docking results highlighted the important active site residues.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com