Sentence examples for by molecular docking computer from inspiring English sources

Two different interaction domains were identified by molecular docking, computer graphics and distance geometry method and confirmed through studies on a series of mutants of erbB2 ECD.

For example, virtual screening by molecular docking is routinely used in computer-aided drug discovery.

Employing computational approaches the compound was further tested for its affinity against potassium protein structure by molecular docking in addition, bioactivity and ADMET properties were predicted through computer aided programs.

These results were further justified by molecular docking analysis.

The results were further investigated by molecular docking study.

The molecular interactions with SIRT1 enzyme were also supported by molecular docking simulations.

The agonist activity of PPARα exhibited by compound 5d was examined by molecular docking studies.

Structure activity relationship has been discussed and the results were confirmed by molecular docking calculations.

The probable binding-mode of compound f7 was further analyzed carefully by molecular docking methods.

Detailed binding modes of 4y with colchicine binding site of tubulin were studied by molecular docking.

Possibly important biological activity of BMMBI molecule was also confirmed by molecular docking study.