Exact(27)
In many more cases, lack of receptor flexibility results in meaningless ligand binding scores, even when the correct pose is obtained.
An adaptive-window pose-graph optimization method is proposed to refine keyframe poses of the global map and thus correct pose drift that is inherent in the visual odometry.
For hs90a, in docking, only Glide succeeded in top-ranking a correct pose (RMSD = 0.46 Å).
In addition, the first correct pose (RMSD = 1.88 Å) was in the 15th rank.
There is a variety of reasons why the rescoring did not top-rank a correct pose. 2.
However, USC based on docking allowed us to obtain a correct pose in the top-4 rank for 87 complexes.
Similar(33)
We showed that the proposed method could correct posed face which angle is less than 30°.
Several studies have shown that although docking programs are usually able to provide poses with correct ligand conformation, the relevant estimation of binding affinity for the right pose remains a great challenge.
The vertical lines at 2 Å delimit the correct poses.
Katy Perry's "Big Balloons" blasts in the background as Falk demonstrates the correct poses.
However, the ranking of the correct poses was not as efficient, with a maximum of 68 top-rank or 75 top-4 rank correct poses given by Glidescore.
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