Sentence examples for dock compound from inspiring English sources

Surflex-dock is based on a modified Hammerhead fragmentation-reconstruction algorithm to dock compound flexibly into the binding site [16].

The sampled point was between the Nembe waterside which is a jetty for local transport and journeys outside Port Harcourt using diesel and petro engine boats and the dock compound of the Ibeto cement bagging factory.

To understand the tubulin inhibitor interaction and the selectivity of the most active compound towards tubulin, molecular modeling studies were performed to dock compound 2n into the colchicine binding site, which suggested probable inhibition mechanism.

This complex has already been tested for its druggability by performing in silico screens in order to dock compounds into the active site.

Probably a logical step might be to identify potential binding locations on the alpha helices for small molecules and possibly dock compounds at these sites.

After XP docking Compound I gave the best score of −10.766.

Furthermore, we found a correlation between the dimensions of the optimal search space and the radius of gyration of a docking compound.

With molecular docking, compound 4j insert into nucleotide sequence (GAAGUU) of OriRNA stably which revealed nucleotide could be a target of these compounds.

Based on the biological data and molecular docking, compound 19 is a potential FabH inhibitor and anti-inflammatory agent deserving further research.

As a result of docking Compound 1, with IC50 value of 0.015 and −14.4 kcal/mol energy, ranked as a most pungent inhibitor among all the studied inhibitors.

Analyzing results of rigid and flexible docking, compound MU06 was selected based on different properties and predicted binding affinities for further analysis.