Sentence examples for docking have been from inspiring English sources

NMR spectroscopy and computational docking have been recognized as an important tool for the interaction study of CDs-drug inclusion complexes in solution state.

As such, a variety of computational methods like molecular docking have been developed to predict the structures of protein peptide complexes [3, 10 13].

In the past decade, quantitative structure activity relationship (QSAR) approaches based on 2D and 3D descriptors, pharmacophore, and molecular docking have been developed to predict inhibition potency of a limited number of structurally similar aromatase inhibitors [12 14].

Moreover, despite a wide variety of interference studies on presynaptic proteins, only a few subtle alterations in docking have been observed in synapses to suggest alternatives for SNARE dependent docking [13] [16].

26 In other cases, the scoring functions of molecular docking have been unable to explain observed ligand binding affinities.

For that reason, during the last 20 years, a variety of computational algorithms for automatic protein protein docking have been developed.

Cognate docking has been used as a test for pose prediction quality in docking engines for decades.

The docking has been performed for the resultant seventeen approved drugs and two known inhibitors.

Blind docking has been widely used for fast mapping of the entire target surface for multiple binding sites.

Besides the ligand-based CoMFA models, an alignment molecular set constructed by flexible molecular docking has been also studied.

Effect of PCV and LV in rigid and flexible docking has been studied both in apo and holo proteins.