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In the best poses, compound 42 makes two hydrogen bonds with the side chain of Cys106 and the backbone amide of Asp104, while another hydrogen bond is formed between the para-amino group and the side chain of Glu66.
Indeed, the rank of the best poses ranged between 1 and 30 with all programs.
Fig. 3 Comparison between the best poses obtained by the four programs.
The best poses were analyzed and visualized with Disovery Studio visualizer (Accelrys, Inc .. Cyclooxygenase.
Only ten best poses per ligand returned by the procedure were considered.
It reads the best poses from those points and turns them into 3D skeletons.
Similar(21)
For some, the best pose is an uncomprehending defiance.
They wore their Sunday best, posed for photos with their children, ate snacks, and drank soda and lemonade.
At his best posing sans shirt in the desert, rather than pining for on/off squeeze Chelsea, he even does charity work, helping kids in Lesotho.
"The nagging question of why he was released on bail is best posed to the court, not the police," Katsounotos told the Associated Press.
This experimental result supports a competitive mechanism and was crucial to establish the docking search space as well as select the best pose, which was then investigated by molecular dynamics studies that corroborate the hit putative binding profile towards LmPTR1.
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