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To reject the pose?
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Second, if the program rejects the pose from three consecutive MC steps, the ligand is set back to its original conformation.
The clustering of saved docking pose was performed to reject the similar poses.
The prepared TCM compounds have been docked in the binding domain of PXR protein using LigandFit protocol [ 53] in DS 2.5 which docks ligands into the binding domain using a shape filter and Monte-Carlo ligand conformation generation and then optionally minimized with CHARMM force field [ 50] and rejected the similar poses by the clustering of saved docking pose.
But many liberals reject the notion that the deficit poses an imminent danger to the nation, as economists point out that both interest rates and the current risk of inflation remain low.
But others reject the notion that Mrs. Clinton poses a serious obstacle to Mr. Cuomo, saying she is enjoying a political honeymoon right now but still has many of the weaknesses that plagued her in the past, including a polarizing image.
Applying Unocal, we reject the argument that the only corporate threat posed by an all-shares, all-cash tender offer is the possibility of inadequate value.
If more than 10% of the ligand's heavy atoms overlapped with forbidden pharmacophores, the pose is rejected.
Mr. Hecker said the decision ignored that Congress, in writing the act, specifically rejected the jurisdictional dichotomy posed by the appeals panel and invited citizens' appeals to the federal government about state failures in enforcement.
Even as he rejected the radical solutions posed by others, Brownlee had no solutions of his own to offer but government thrift and moderate debt adjustment.
"We reject the premise that there is a 'right' way to answer the questions posed.
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Since I tried Ludwig back in 2017, I have been constantly using it in both editing and translation. Ever since, I suggest it to my translators at ProSciEditing.

Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com