Sentence examples for binding mode for this from inspiring English sources

The X-ray crystal structure of 16a in JNK3 reveals an unexpected binding mode for this new scaffold with protein.

A proposed protein ligand binding mode for this compound is also provided to rationalise the high levels of potency and selectivity over inhibition of related sodium channels.

Crystallographic analyses of lead 3 and the optimized probe 4 in the acyl-binding pocket of PvdQ suggest a competitive binding mode for this class of biaryl nitriles.

This lack of a single consensus binding mode for the inhibitor suggests that the R2 carboxylate group of S02030 may be too close to Arg340, resulting in a steric clash between this residue and the carboxylate group of the inhibitor.

Molecular dynamics simulations revealed a common binding mode for these inhibitors, involving association to the TDP2 DNA-binding cleft.

A molecular docking study was conducted, and the results showed a consistent and stable binding mode for the typical compounds.

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

We use chemical proteomics to discover an unusual binding mode for the DGKα inhibitor, ritanserin, including interactions at the atypical C1 domain distinct from the ATP binding region.

The docking mode of 2 with the catalytic domain of TACE was illustrated to analyze the binding mode for the further analogue design.

We also mapped the binding mode for the reported, virtually generated proline analogs and compared it with the reported crystal structure.

Molecular modeling studies by docking suggested a different binding mode for the most active derivatives, when compared to natural hit chalepin.