Sentence examples for docking quality from inspiring English sources

The results of the docking quality comparison for both programs demonstrated that the docking quality of SOL is better than that of AutoDock 3.05, if we consider docking quality with the criterion RMSD<1.5 Å. Almost twice as many native ligands docked by SOL had a RMSD≤1 Å when compared to the respective number of ligands docked by AutoDock 3.05 [9].

These structures were used as for docking quality testing, as for the further work with new inhibitors.

Another way to estimate docking quality, with focus on ability of the active inhibitors selection, is the enrichment plot (E-plot) and enrichment value (S E ) [ 63], where the latter is the area under the E-plot.

The commonly assumed docking quality gradation is "excellent" in the case of RMSD < 1 Å, "good" in the case of 1 Å < RMSD < 2 Å, "satisfactory" in the case of 2 Å < RMSD < 3 Å, and "bad" in the case of 3 Å < RMSD.

The docking quality is typically measured by a scoring function: a mathematical predictive model that produces a score representing the binding free energy and hence the stability of the resulting complex molecule.

This docking quality is considered usually as "good" one.

Similarly, an interactions-based accuracy classification method [44] has been shown to provide a superior assessment of docking pose quality compared to simple RMS deviations from crystal structure poses.

NPC basket proteins have been implicated in mRNP docking and quality control prior to mRNP nuclear exit (Strambio-De-Castillia et al. 2010).

The validation of the docking program quality is a way to estimate whether it positions native ligands correctly into the active site of the target-protein as well as to evaluate accuracy of the protein-ligand binding free energy calculation.

However, the methodology is still heavily dependent on the quality of poses generated by docking.

Docking port?