Sentence examples for by the docking programme from inspiring English sources

The results for the best scoring conformers chosen by the docking programme revealed that cinnamic acid derivatives can be accommodated in the substrate-binding region of the active site, above the nicotinamide moiety of the NADPH cofactor.

Consequently, the docking programme used in this study (DOCK 3.5 ) was biased to address this part of the binding site by only placing spheres for ligand matching close to the cluster of positively charged residues.

For the remaining compounds the docking programme was not able to generate a docking pose due to steric clashes.

In 1841 Lady Maria died, and Bute blamed his excessive focus on the dock programme for exacerbating his wife's illness.

To establish a possible correlation between docking performance and target conformational attributes the clustered snapshots have been subjected to extensive self- and cross-docking experiments as well as virtual screening using the GOLD docking programme.

From here Captain McNaught and his officers oversee sailing and docking, joined by the docking pilot.

We have tested our hypothesis by the docking experiments.

The top 20 docking models ranked by the docking score were selected from the biggest cluster for further analysis.

Docking enrichment was calculated by dividing the docking hit rate by the screening hit rate; random selection gives an enrichment of 1.

I was politicised by the docks".

He was born in Liverpool by the docks.