Sentence examples for by a docking study from inspiring English sources

The experiment was explained by a docking study.

The observed structure-activity relationships were rationalized by a docking study.

The dramatic enhancement of top 1 inhibitory activity of 4 was explained by a docking study using the FlexX program.

In this sense we have proposed to perform an analysis of PDE7 surface to identify possible allosteric sites following by a docking study of different PDE7 inhibitors synthesized by our group.

Furthermore, the high selectivity of 14c, e for Cdc7 over Rho-associated protein kinase 1 (ROCK1) is discussed by utilizing a docking study with Cdc7 and ROCK2 crystal structures.

To design new analogues of SGI-1027 and test their activity against the catalytic domain of hDNMT3A, we started by carrying out a docking study of SGI-1027 in the catalytic pocket of DNMTs.

This issue was overcome by a hybrid design using human VAP-1 specific inhibitor 2, which was found by high-throughput screening (HTS), a docking study of a human VAP-1 homology model, and an analysis of sequence information for humans and rats.

A possible interpretation of our evaluation result has been presented by a molecular docking study by docking representative compound 8c with VEGFR-2.

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

The structural considerations of the designed molecules were further supported by the docking study with a long-chain enoyl-acyl carrier protein reductase (InhA).

A small, focussed library of condensed 2H-4-arylaminopyrimidines, with 3-diversity points, based on an initial design by molecular docking study of this scaffold at the active site of the fungal enzyme of cytochrome P450 family, lanosterol 14α-demethylase (CYP51) was synthesized through a one-pot green chemical synthetic protocol.