Sentence examples for pose ranking from inspiring English sources

We have shown in a previous study that protein-based pharmacophore models can be applied for ligand pose prediction and pose ranking.

Consequently, a direct application of the protein-based pharmacophore models is to use them for ligand pose prediction and pose ranking.

Inspired by the promising results in ligand pose prediction and pose ranking using protein-based pharmacophore models, we extended the pharmacophore-based matching and scoring scheme into a docking program, named PharmDock (Pharmacophore-based Docking).

Docking, despite providing good binding conformations for the ligands, and fairly good relative pose ranking for the same ligand, scored the ligands inaccurately (Fig. 5b).

The number of complexes for which the best pose is correct, is represented by the gray boxes, the blue and red boxes correspond to the number of complexes with a correct pose ranked as the top 1 or within the top 4. A pose is considered correct when its root-mean-square deviation from the crystal structure is less than 2 Å.

The number of poses required to generate the best-scoring 3-D conformations (pose rank) is an assessment of how close to optimal the conformations are for any given primary protein sequence.

Our docking studies revealed a significantly poorer docking score and pose rank for ATP binding to T99M, R216C, and E253K compared to WT (Fig. 4), indicating poorer binding affinity of ATP to the mutants.

Thus, both XP scores and pose rank results highlighted the strong impact of the de novo mutations on the potential function of the motor domain in our patients when compared to the recessive, polymorphic, and WT KIF1A.

As for the posed ranks of Kardashian women, it's unclear whether they were deliberately meant to resemble replicants (basic pleasure model), but it certainly appeared to be a tableau in desperate need of a Blade Runner.

Here, for the sake of comparability with the efficiency of the programs, for each target, only the first USC element, made of the 4 top-rank poses, is compared to the top-4 poses ranked by the programs.

Concerning Gold, the RMSD of the poses ranked with Goldscore is used in this subsection since only this scoring function, which yielded better results than PLP for VS, was adopted for the BEDROC scores.