Sentence examples for based on the docking from inspiring English sources

A series of PI3K-beta selective inhibitors, imidazo[1,2-a]-pyrimidin-5(1H -ones, has been rationally designed based on the docking model of the more potent R enantiomer of TGX-221H -onesified by a chasal separation, in a PI3K-been homology model.

Based on the docking results, we developed a structure-based pharmacophore model.

Further compounds were synthesised based on the docking score and ADMET profile.

Flexible Glide SP docking was carried out and the ranking was done based on the docking energy.

Based on the docking scores and energy values, DIAZ2 has better values when compared with DIAZ1 (Table 5).

The new inhibitors thus identified were modified, based on the docking models, and revealed preliminary structure activity relationships.

Finally, the evaluation with the lowest binding energy was used to analyze ligand pose and the interaction model of MdOS/VEGFR2 or MdOS/EGFR was produced using the LIGPLOT program based on the docked complex structure[39].

Based on the dock-score six molecules have been studied for ADME/TOX analysis and subjected for pharmacophore model generation.

Each day, the amount of labor hours needed based on the dock traffic expected is transmitted to the union's hiring hall.

For the flexible docking, and based on the rigid docking results, Surflex offers the opportunity to slightly minimize the potential energy of the side chains of the protein binding site in the presence of the docked compounds, in order to refine and rescore the docking pose.

An adaptive genetic algorithm is developed to solve the optimization problem and a new docking program (FlexGAsDock) based on the hierarchical docking method has been developed.