Sentence examples for binding pose from inspiring English sources

To understand how E-HA219 binds to ATX, molecular docking experiments were performed that suggested a binding pose for E-HA219 different from that of the original binding pose of HA155 or from the Z-isomer of HA219 for ATX.

In contrast to its congeners, 11 binds upside down in the binding site which is a much poorer binding pose.

In addition, we confirmed that MIRS performed well on binding pose prediction.

For both simulations, the best predicted binding pose obtained from the molecular docking calculations was used as the starting binding conformation.

The change in ligand binding pose, dynamics of protein, DNA and ligand upon the mutations were thoroughly analyzed and discussed.

After profound analysis, it was analyzed and optimized based on the observations from its binding pose orientation.

Docking simulation was performed to position compound 3i into the MMP-2 active site to determine the probable binding pose.

3. Schmitz J, et al. Dualsteric muscarinic antagonists–orthosteric binding pose controls allosteric subtype selectivity.

Orange: Ligand binding pose predicted in the unbiased docking setting with all identified protein-based pharmacophores.

The subsequent mutagenesis and binding experiments confirmed the predicted binding pose.

Low RMSD values and the high fractions of contacts indicate better ligand binding pose predictions.