Sentence examples for by computer docking studies from inspiring English sources

Aminothiazole derivatives, identified by computer docking studies as described in Materials and Methods, were screened for their ability to inhibit PGE2 production in cell cultures of gingival fibroblasts.

The computer docking studies predict that Tyr96 will be positioned between the FMN of Cdx and heme of P450cin, and indeed, the mutagenesis studies show that Tyr96 is quite important.

Besides the data on the H191R mutation in figure 6B, the observed difference in kinetics and inhibitory constants between the different mutants cannot reliably be predicted on the basis of the computer docking study performed in this study.

Computational docking studies revealed the structural basis of this behaviour, highlighting the key role played by Lys393 in hindering substrate docking.

Computational docking studies.

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

Computer imitation docking studies were conducted between template proteins and acrylamide monomer to reveal the recognition mechanism of SpA molecularly imprinted polymer.

The best inhibitor compound 26b was found to occupy both isoprenoid and peptide substrate binding sites through kinetics and computer molecular docking studies.

The structure activity relationship (SAR) study and computer aided docking study of the most optimized structure 4 with human iNOS will also be reported.

The significant cytotoxicity and tubulin polymerization inhibition by A-2 was further rationalized by docking studies where it was docked at the curcumin binding site of tubulin.

The agonist activity of PPARα exhibited by compound 5d was examined by molecular docking studies.