Sentence examples for docking consensus from inspiring English sources

Using the docking consensus classification, we correctly classified 15 of 28 (55.6%) molecules from this sample ToxCast data set.

Notably, as discussed in methods "Virtual screening of DrugBank by 3D molecular docking", our consensus screening platform discarded inactive compounds after each round of docking to generate a set of "active" compounds with all three peptides P1, P2, and P3.

A heuristic docking and consensus scoring strategy was used to evaluate the results of the virtual screening.

Instead, conservation of the docking domains consensus is somewhat group specific (Table  4).

Here we present CPORT, a consensus docking method specifically optimized for data-driven docking in HADDOCK.

Each ToxCast compound was docked into the five published crystallographic structures of human PXR (hPXR), and 15 compounds were selected based on their consensus docking scores for testing.

Consensus docking was performed to improve upon the results and best ten hits were selected.

We used consensus docking to identify low molecular weight compounds from a commercially available library.

This consensus docking was conducted in the presence and absence of peptide using both SP and XP scoring functions [44].

Several attempts have been made to improve docking by applying consensus scoring approaches using multiple structures or softwares or by rescoring compounds using normalization procedures [2 4].

Finally, virtual consensus docking method was utilized with the aim of design of new 2,5-diketopiperazine derivatives with significant inhibitory effect on both αβ-tubulin and BCRP proteins.