Sentence examples for a docking study of from inspiring English sources

A docking study of compound 1e fully supported these biological results.

The synthesized analogues were subjected to molecular modeling analysis based on two alternative models of the phorbol pharmacophore and a docking study of 13c was carried out.

A docking study of compound 9d was performed to elucidate its possible binding modes and to provide a structural basis for further structure-guided design of PAK4 inhibitors.

We elucidated the structural properties of 3a by means of single-crystal X-ray diffraction analysis and conducted a docking study of 3a with hAR LBD.

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.

These scaffolds are rigid and are allowed to adopt an L-shape conformation which was estimated as the active conformation based on a docking study of YM-60828 with FXa.

The conformation selection theory thereby affords parallel computing and enables a docking study to be performed on thousands of IBM Blue Gene processors with high processor utilization [6] [8].

The conformation selection theory thereby affords parallel computing and enables a docking study to be performed using thousands of IBM Blue Gene processors with high processor utilization [6] [8].

Although a direct experimental approach to determine solely the affinity of a substrate is not available, a computational docking study of closely related OGp analogues was insightful.

A docking study suggested the possibility of the thiadiazole amino group of 48 forming hydrogen bonds with NADP phosphate (3.4 Å), and the carbonyl group interacting with Y183 (2.8 Å) and S170 (2.5 Å) also through hydrogen bonds.

These results are supported by a recent docking study of Lima et al.18, and contradict a previously proposed inhibition mechanism of KA by copper chelation20,21,22.