Sentence examples for docking input from inspiring English sources

The last two columns are using the Omega-generated low-energy conformers as docking input.

The first two columns are the docking results using native conformer as the docking input.

Correlations between the binding constants and the predicted binding scores when using only low-energy conformers as docking input.

PharmDock uses the low-energy conformers for a ligand generated by Openeye Omega [12 14] as docking input.

In the default setting, PharmDock uses the ligand conformations generated by OpenEye Omega [12 14] as docking input.

The Pearson correlation coefficient of 0.580 and 0.567 were reached with and without the presence of native ligand conformations in the docking input.

When the native ligand conformations were excluded from the docking inputs, this number dropped to 20%.

This success rate dropped to 37% when the native ligand conformation is excluded from the docking inputs.

As shown in Table 2, when the native ligand conformers were provided in the docking inputs, PharmDock was still among the best of the studied docking programs.

This lack of generating native ligand conformations with Omega for a significant fraction of the docked ligands was the major reason for the dramatic drop in the success rate after excluding the native conformation from the docking inputs.

Users can select one of three options in our server: Curated Kinase Docking, User Input Kinase Docking, and Database.