The selection of the most likely pose was based on the atom densities calculated from the mapping results.
The questions we've posed are based on readers' submissions.
The choice of measurement poses is based on the condition of the identification Jacobian matrix, so that increased robustness can be shown compared to the evaluation of a much bigger number of measurement poses using the Householder transformation.
The function (and final ranking of the ligand poses) is based of four components, namely (i) protein-ligand hydrogen bond energy, (ii) protein-ligand van der Waals energy, (iii) ligand internal van der Waals energy and (iv) ligand torsional strain energy.
The women's poses are based on historical protest posters, of which Bowers has an extensive archive.
Some of General Hein's facial features and poses were based on Hackett.
Briefly, the pose sampling is based on a modified Bron-Kerbosch clique detection algorithm [21, 22] that enumerates all possible multi-points (> = 3) matches of ligand and protein-based pharmacophores.
The human tracking and body pose is estimated based on the upper body appearance of skeleton information from Kinect sensors using extended Kalman Filter with the accuracy of 5-cm.
Otherwise, the Score cur is compared with the score of the last accepted step (Score pre ) and the current pose is accepted based on the probability P: P = exp - Scor e cur - Scor e pre RT (4).
The newly sampled pose is accepted based on several criteria: 1) If the RMSD of the current ligand pose compared to the starting pose is larger than 3.5 Å, the current pose is rejected and coordinates of the starting pose are reassigned to the ligand.
