Sentence examples for in silico docking study from inspiring English sources

To elucidate the possible interaction between naringenin derivatives and CDK2, in silico docking study was performed.

We have used an in silico docking study with seventeen purine derivatives for their binding affinity calculations.

The model has been further selected for in silico docking study with inhibitors from the DrugBank database.

Its molecular-level binding mode with the three-dimensional structure of MAO-B was elucidated using an in silico docking study.

The model has been further explored for in silico docking study with the inhibitors having druggability potential from the Drug Bank database.

The most active compound 2.17S had IC50 of 7.90 μM against BACE-1, which was concomitant with results of in silico docking study.

In silico docking studies were performed to screen several compounds containing pyrimidine scaffold against CAMKIV.

In order to investigate the binding mechanisms of these inhibitors, in silico docking studies were applied.

In silico docking studies predicted similar binding pattern of compound 19 on androgen receptor as hydroxyflutamide.

In silico docking studies on Human topoisomerase IIbeta (PDB Id: 3QX3) have been performed for all molecules (KM10 17) synthesized.

Also, in the absence of the crystal structure of the Mtb-PGM, the modeled structure could be further explored for in silico docking studies with suitable inhibitors.