Sentence examples for by molecular docking analyses from inspiring English sources

The InterBioScreen's Natural Compound (NC) database was first filtered by applying drug-like ADMET properties and then with the pharmacophore-based virtual screening followed by molecular docking analyses.

Notably, the bivalent F ab′ 2 form of 15A7 is more effective than the Fab form in blocking HIV-1 infection, which is further supported by molecular docking analyses.

Binding to ERα was evaluated by molecular docking analyses, an agonist fluoligand assay and short hairpin (sh RNA mediated protein depletion.

For the molecular docking analyses, Ca2+ ions and the N-terminal domains of At APC1-3 were prepared using Autodock Tools 1.5.6.

Lastly, enzyme and ligand features contributing to the potency and selectivity differences are analysed by molecular docking.

Possible ways of binding interaction between somatostatin receptor type 1 and TT-232, a cycloheptapeptide analogue of somatostatin with broad therapeutic potential, were analysed by molecular docking.

We analysed the interaction of ES with the PPARα receptor by molecular docking and in vitro studies with co-activators.

Beyond that, the binding energy calculated by molecular docking or molecular dynamics simulation should be accurate.

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.