Sentence examples for modes of compounds from inspiring English sources

The possible binding modes of compounds 3e and 4n with dipeptidyl peptidase-4 were also explored by molecular docking simulation.

With the aid of molecular modeling, the binding modes of compounds 9 and 22 with β-secretase were compared.

The binding modes of compounds 1e and 1g were studied by docking studies, which highlighted the importance of the urea linker compared with the amide linker.

The binding modes of compounds 1 and 3 are compatible with ligand growing for optimization of affinity for BAZ2A and selectivity against the close homologue BAZ2B.

Docking was used to investigate the possible binding modes of compounds 14, 16 and 20 inside the active site of CDK2 enzyme.

The possible binding modes of compounds 12, 13l, 13h, and 13q with GP and GK were also explored by molecular docking simulation.

Analysis of mapping between pharmacophores of different binding sites and each compound demonstrated that these benzamide derivatives bind at the dimer interface of the rabbit muscle enzyme, and possible docking modes of compound 4m were explored by molecular docking simulation.

Possible docking modes of compound 1 at the AMP allosteric site were further explored using the crystal structure of rabbit muscle glycogen phosphorylase complexed with a Bayer diacid compound W1807 (PDB entry 3AMV).

To assist our design of selective cIAP inhibitors, we modeled the binding modes of compound 1 complexed with XIAP BIR3 and cIAP1 BIR3 proteins.

In order to get hints about possible binding modes of compound 8, it was submitted to molecular docking using a homology model of IKK-β.

The distinct binding modes of compound 1 to STAT3 versus STAT1 or STAT5, despite their similar SH2 domains, provides a possible basis for the observed STAT3-specificity of compound 1.