Sentence examples for by molecular docking simulation from inspiring English sources
Of these 4 compounds, Irigenin, was most effective in controlling tumor cell growth and showed maximum binding affinity with EDA as evaluated by molecular docking simulation.
In addition, the structure activity relationships (SARs) were supported by molecular docking simulation.
The possible binding modes of 17f and 17k with the cognate receptor were explored by molecular docking simulation.
The inhibitory activity of these new designed ligands against Homo sapiens class II HDAC was determined by molecular docking simulation.
The possible binding mode of one of these compounds with GK and PPARγ were predicted by molecular docking simulation.
The possible binding modes of compounds 3e and 4n with dipeptidyl peptidase-4 were also explored by molecular docking simulation.
Additionally, the interaction between the BH3 domain of anti-apoptotic proteins Bcl-2 and Bcl-xL with the pharmacophore 3d was examined by molecular docking simulations to assess its potential to induce apoptosis.
This study presents the mode of interaction, structural features, and micellization of amphotericin B (AmB) with sodium deoxycholate sulfate (SDCS) as small lipid molecule at different ratios, as revealed by molecular docking simulations and nuclear magnetic resonance (NMR).
All experimental measurements were also supported by molecular docking simulations of colchicine binding site, which revealed the governing forces for the binding behavior and a good relationship with anti-tubulin activity and antiproliferative activities.
