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Additionally, the generation of good poses does not guarantee their good ranking.
However, in all cases, even when a program succeeds in finding good poses, their ranking may still be unsatisfactory.
It is generally established that docking can be reasonably successful at generating good poses of a ligand in an active site.
Some researchers argue that docking can usually generate good poses of a ligand in an active site, however scoring functions are generally not successful at correctly ranking either ligands or poses [5].
However, all these observations do not exclude that, for some cases, it may happen that the performance of VS is improved when good poses are found by docking [33].
This latter score is a reformulation of two of the terms in the Goldscore scoring function, defined as hbond.external + 1.375*vdw.external, and has been shown to correlate better with experimental binding affinities than Goldscore itself, which was optimized to give good poses [21].
Similar(47)
Technically, modeling is unskilled labor, but people like Ms. Wiebe have long inspired artists, and contributed to countless masterpieces, by finding a good pose and holding it, often stark naked.
Three aspects are required in good pose design: achieving a set of world space constraints, finding a body shape that reflects the character's inner state and personality, and making adjustments to balance that act to strengthen the pose and also maintain realism.
RMSD values below 2.0 or 2.5 Å are often suggested as thresholds for a "good" pose [25 27].
The archway and the polling station sign next to it lent itself to a nice shape and a good pose.
However, the advantage of USC is its rapidity and ease of use compared to the rescoring procedure, which is long and fastidious, and it increases the chance of finding the good pose, within only 4 poses, by 12 30% compared to docking.
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