It is a fascinating question to pose within a novel.
In a crammed Glasgow Barrowland, singer Jim Kerr is hailed as a battle-scarred hero, and obligingly strikes a messianic pose within the first few clattering bars of I Travel.
A low-cost visual tracking system is designed for estimating the helicopter pose within a flying volume.
Figure 4 Three Dimensional (3D) conformational differences of co-crystallized ligand (BCH) and its docked pose within binding site of 1p0p.
The fraction of protein-ligand complexes that have at least one predicted pose within 2.0 Å RMSD to the native binding pose is displayed on the y-axis.
Shape sets allow an animator to use a single scalar to vary a character's pose within a specified shape class, providing an intuitive parameterization of a posture.
In the following section, we describe how weak poses are estimated from video frame feature descriptors using GPR. Figure 4 Visualizing the nine principal variations of the pose within UaSpace learnt from HumanEva data.
When the low-energy conformations generated by OpenEye Omega [12 14] were used as input, we were still able to maintain a success rate of 71% for predicting native-like binding pose within the top-100 ranked poses.
In our dataset, 35.1% of ligands (OPLS3, solvent: water) had the bioactive pose within 1.0 Å from the global minimum structure, which supports the idea of setting a reasonable energy cut-off for selecting conformers to the final pool (For other force field-solvent combinations: Additional file 1: Table S7).
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.
We found that the presence of the native ligand conformation greatly influenced PharmDock's performance in pose prediction: when native ligand conformation was provided together with the low energy conformations in docking, PharmDock was able to reproduce the native binding pose within an RMSDtop ≤ 2 Å for 56% of the protein-ligand complexes.
