Sentence examples for in silico docking methods from inspiring English sources

We present a specific piece of molecular modelling work, combining in silico docking methods, energy minimization calculations and in silico cloning, to develop a rational peptide as a candidate that functions as a resistance inducing agent against L. maculans in B. oleracea var.

Inclusion of this conserved water molecule in the NSC109555-derived protein conformation was, therefore, influential in the discovery of the novel benzimidazole binding mode by the in silico docking methods described here.

The binding ability of mimosine to ERα was predicted by in silico docking method.

By using a combination of SPR-based binding studies, photoactive cross-linking methods, an in silico docking simulation and mutational analysis, we have mapped the SE binding site to the 217 223 region of CRT P-domain and identified residues Glu217 and Glu223 as key players.

If one is to find an enzyme that catalyses a reaction, one might hope to be able to predict that it can at least bind that substrate using the methods of in silico docking.

We suggest that TMD method may help in discriminating between ligands generated by in silico docking.

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

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

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.

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