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Therefore, pose adjustment by particle filter [15] was adopted.
An issue in the pose adjustment procedure is that the shape and inclination of the cloth product in the reference data is not completely the same as the input data.
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Fig. 1 Interactions that differ slightly in pose (HOG) or movement (HOF).
Left the ligand is in its best pose (RMSD = 0.32 Å), in the crystallographic binding pocket.
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.
Determine the P elements (m, n) whose value is < 0 in the pose PADIF (favourable interactions in the pose fingerprint).
Right the ligand is in the best off-center pose (RMSD = 9.54 Å), top-ranked by Glide, Gold and FlexX after the rescoring of the pool of poses.
We note that this RMSD measure is calculated with respect to the reference ligand pose (Best Pose in the supervised docking).
For analyzing the performance of PPCheck in differentiating native-like and non-native-like docking pose, CAPRI dataset was selected.
After optimizing the camera poses, BA is performed to optimize both 3D positions of feature points and the camera poses.
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