Sentence examples for computational docking study from inspiring English sources

A computational docking study was carried out to investigate the mechanism of the inhibitory effect.

A computational docking study was carried out to investigate the mechanism of the isozyme selectivity.

Moreover, computational docking study was performed to illustrate the important structural information on the plausible ligand-enzyme binding interactions.

The pattern of molecular recognition of peptidomimetics was in agreement with the results of structure modeling and also with the results of computational docking study of peptide and peptidomimetic substrates with the active center of PKA.

The anticipated analogy of these four compounds was evaluated by a computational docking study with the flexible docking program Fleksy.

Although a direct experimental approach to determine solely the affinity of a substrate is not available, a computational docking study of closely related OGp analogues was insightful.

Computational docking studies also suggested binding near the colchicine binding site on tubulin.

The design was based on computational docking studies using the extracted active site of fVIIa.

Computational docking studies showed that the most active hybrids dock well within the binding site of HGPRT protein.

Experimental DNA binding and computational docking studies were carried out to identify the biological targets of 1 12.

Computational docking studies also showed that compound 3k has interaction with COX-2 key residues in the active site.