Sentence examples for molecular docking approach from inspiring English sources

We then checked whether the molecular docking approach reflected the various conformations of kinases and yielded reliable docking results.

Computational analysis based on a molecular docking approach underlined the potential structural requirements for simultaneously targeting both proteins' allosteric sites.

In the present study, a flexible molecular docking approach was conducted to investigate different binding modes of twelve phosphorus enantiomers.

The practical example of molecular docking approach as a generic tool in SBDD of is also demonstrated.

Molecular docking approach was performed in order to verify the BFD-22 binding mode into the ATP catalytic site of BRAF kinase.

In the present work, we evaluated a set of selected oxazole and carboxamide derivatives to identify potential pharmacophoric features using molecular docking approach.

Nowadays, molecular docking approaches are routinely used in modern drug design to understand drug receptor interaction.

Nevertheless, only very few molecular docking approaches have taken into account such variations in protein structures.

Computational molecular docking approaches with highly selective agonists and antagonists will be available for each protein that will have minimal side effects [20].

The prediction of possible binding geometries as well as ranking of putative protein-ligand complexes according their binding affinities is the intention of so called molecular docking approaches.

Three dimensional QSAR (quantitative structure activity relationship) and molecular docking approaches were applied to explore the structural requisites of flavone derivatives for NA inhibitory activity.