Sentence examples for pose and protein from inspiring English sources

After a pharmacophore search within the ZINC database the retrieved molecules were simultaneously docked to the different protein conformations to identify the best combination of ligand pose and protein conformer.

For the TCM candidates, they also have stable H-bonds with residues Val2240 and π interactions with residue Trp2239 as Torin2, which indicate that they have similar docking pose and effects in mTOR protein.

The weights for the different types of pharmacophores were optimized to achieve the best separation between native-like poses (≤2 Å RMSD to the X-ray binding pose) and decoy poses for 190 tested protein-ligand complex structures.

The actual threats these non-canonical substrates pose to protein synthesis and cell viability is unknown, as is the role of aaRS quality control in protecting the proteome from such amino acids.

What hurdle do forked Ub chains pose on protein degradation?

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

The force-field is used here only to score the pose of protein-ligand interaction and no docking is performed.

The MD poses of 0 ns and snapshot after 19 ns were compared with docking poses of ligand and protein.

However, the docking pose of TRAF6 protein with tryptophan is not stable under dynamic condition.

We succeeded to predict the correct binding pose of a protein-ligand complex starting from the crystal structure of an unrelated protein conformation, where large conformational changes of the protein are necessary to bind the ligand.

For each program, 30 ligand poses per protein target were requested.