Sentence examples for values of the docking from inspiring English sources

As the both the refined and the refinedQ calculations have higher final values of the docking potential than either of the plain calculations, the solution is less accurate.

Single-objective dockings with the above-mentioned three SFs separately are also performed on the test benchmark, and the RMSD values of the docking results are also listed in the Additional file 1. PDB 1IGJ is an immunoglobulin complex with digoxin, and is chosen here to describe the docking procedure.

Thus, we applied a cutoff value of the docking rank difference of 500 (i.e. Δdocking rank > 500) bearing in mind that the maximum Δdocking rank difference observed for the bioactives was 573.

Docking was considered acceptable if the average RMSD value of the docking poses was less than a given threshold of 2.0 Å from the crystal pose.

The RMSD values for the docking of SAM ligand to PF0847 and the reference protein were very close, which suggests a significant binding of SAM with PF0847.

Nonetheless the architectural and technological value of the docks was recognised in 1952 when the Albert Dock was granted Grade I listed building status.

The values of the other docking parameters used for evaluating the selection criteria of the top-scoring ligands are shown in Table 2.

They also added the log  P value to the docking score, as a measure of the ability of the compounds to cross the membranes by diffusion.

Analysis of FEB values from the docking simulations of the FFR_InhA with the four ligands produced different ranges of minimum, maximum and average FEB values (Table 1).

After the docking parameters were set, the crystal pose of donepezil was first re-docked into the binding site pocket of AChE, and the root-mean-square deviation (RMSD) values between the docking and initial poses were calculated.

It is found that the absolute values of the Dscore calculated from the docking correspond well to the ELISA data that relate to the affinity between the peptides and the target molecule.