Sentence examples for satisfaction of the docking from inspiring English sources

As such, the conformational search is biased toward a maximally complementary fit following satisfaction of the docking restraints.

In terms of convergence of the solution and maximal satisfaction of the docking potential, the "plainQ" calculation was most attractive and was selected for further analysis.

Our procedure for "crystal soaks by NMR" gradually introduces the protein−ligand steric interaction after initial satisfaction of the docking potential.

In contrast, the use of appropriate initial coordinates and intraprotein NOEs (as in the plainQ calculation) gives a small residual for the intraprotein NOEs (7.22 ± 3.69 kcal/mol) and good satisfaction of the docking potential (17.07 ± 6.96 kcal/mol).

As shown in Figure 10, the conformation of W7's tail in the bound state places the terminal amine moiety in the proximity of two acidic patches located on helices C and D. This electrostatic interaction facilitates maximal satisfaction of the docking potential (Table 3).

The structure determination protocol gives families of conformers that all have an optimal docking as assessed by satisfaction of the target function.

Both docking scores were within the standard error of the docking program suggesting similar binding affinities.

The reliability of docking results strongly depends on the quality of the docking methods.

For comparison and validation of the docking algorithms, docking simulations were performed also with palmitate.

The size of the docking grid was selected to cover the entire docking molecule.

Docking experiments for the same targets were performed to check reliability of the docking scores.