Sentence examples for in silico docking experiment from inspiring English sources

An in silico docking experiment indicates the potential involvement of other potential molecular targets such as PIM-1 kinase to explain its tumor cell growth inhibitory activity.

The molecular features that govern their bioactivity were explored through in silico docking experiments.

The binding modes between chromenylchalcone 11 and aurora kinases were elucidated using in silico docking experiments.

The anticipated binding mode of these analogs was confirmed by performing the in silico docking experiments.

The binding modes between the compound and aurora kinases were interpreted using in silico docking experiments to explain the selective inhibitory effects on aurora kinases A and B. These findings will facilitate the design of potent novel benzochalcones as anticancer agents.

In silico docking experiments were performed for compounds 1 28 against the X-ray crystal structure of Coxsackievirus B4 2A proteinases (Protein Data Bank (PDB): 1Z8R) [20] using Molegro Virtual Docker software.

In silico docking experiments provided evidence supporting the hypothesis that these motifs function as MAPK docking sites along HIV proteins.

We attempted in silico docking experiments and showed that the active compounds could be readily identified from decoy compounds.

This, in turn, will permit to perform in silico docking experiments to design molecules that may disrupt the T: A interactions.

The in silico docking experiments performed indicate that the [−1A]N-TIMP-3 mutant is most likely to be tilted so that Phe of the TIMP is no longer in contact with the enzyme, while still blocking the access of the catalytic Zn2+ ion to the water molecule required for peptide hydrolysis.

Our strategy was based on photolabeling experiments with T140 photoanalogs and the resulting in silico docking studies.