Sentence examples for binding mode for a from inspiring English sources

By combining all crystal structures solved here, a comprehensive binding mode for a substrate is proposed.

The hypothetical binding mode for a typical molecule as basis for our inhibitor design was found in good agreement with a 1.7 Å X-ray structure of this candidate in complex with the catalytic domain of human MMP-8.

A probable reason behind this observation is that the inclusion of more conformations into a docking protocol neglects the fluctuations of docking poses and provides a more coherent binding mode for a given ligand, therefore enabling a clearer discrimination between active and inactive compounds.

We proposed the two stage framework to predict the DNA-binding residues in a protein and the corresponding binding mode for a query protein respectively.

The binding mode for a series of benzimidazole inhibitors of the protein kinase CHK2 has been clarified by application of flexible side chain docking and protein ligand crystallography.

Unconstrained rigid docking, flexible side chain docking and protein crystal structure determinations reveal a water-mediated hinge binding mode for a series of benzimidazole ligands of the protein kinase CHK2.

Here we report the binding modes for a series of colchicinoids, combretastatin A4 and chalcones established from docking studies carried out on the structure of tubulin in complex with colchicine.

The AutoDock program successfully reproduced the binding mode for GW409544, showing a root mean square deviation (RMSD) of one of the most stable binding conformations (pose #55) of 0.7 Å in comparison with the experimental geometry, and the same hydrogen bond patterns (Fig. 2A).

As well, they reported an alternate binding mode for FBF-2 with a slightly different motif.

These data consequently suggest a sequential binding mode for BMP2 and GDF5, with an initial recruitment via type I receptors and a subsequent binding of the type II receptors to this intermediate ligand:type I receptor complex.

Extensive structure-based computational studies suggested a binding mode for these compounds that led to a structure activity relationship study.