Sentence examples for molecular docking utilizes from inspiring English sources

Molecular docking utilizes defiant protein receptors attributed to the microorganisms executed in biological application as; 3t88, 3ty7, 3cku, 2ylh and 2jrs.

Molecular docking was utilized to provide more useful information between pyrimido[1,2-c][1,3]benzothiazin-6-imine derivatives and HIV-1 protease, such as active site, binding mode and important residues.

Meanwhile, homology modeling and molecular docking were utilized to help understand the interaction between BphC_LA-4 and catecholic substrates, which illustrated that BphC_LA-4 presented lower binding affinity towards 4-methylcatechol in comparison with 3-methylcatechol and catechol.

In this study, the molecular docking tools were utilized to investigate the interactions of CaM with chrysin.

Molecular docking and scoring was utilized for the design of inhibitors.

Virtual screening, via drug-like ADMET filter, best pharmacophore model and molecular docking analyses, has been utilized to identify putative novel AChE inhibitors.

To rationalize their mechanism of action, we performed computational analysis utilizing molecular docking and dynamics simulations on the C. albicans and C. glabrata CYP51 (CandP51 and CGCYP51) homology models we built.

The molecular docking technique was also utilized to ascertain the mechanism and mode of action of diphenyltin analog 3. The in vitro antitumor activity of 3 was evaluated by SRB assay against a panel of human cancer cell lines which clearly revealed good cytotoxic activity against K-562 human leukemic cells with GI50 values <10 μg/ml.

The binding mode of compound 88 to tubulin was also investigated utilizing a molecular docking study.

13 Various structure-based methods, including molecular docking and dynamics, can be utilized for HLA peptide binding predictions.

Consequently, two hits were retrieved as final candidates by utilizing virtual screening and molecular docking simulations.