Sentence examples for pose prediction from inspiring English sources

Two examples of these features demonstrated their usefulness in binding pose prediction and virtual screening.

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

A typical docking procedure incorporates two important components: a binding pose prediction and the estimation of binding affinity.

PharmDock's performance in ligand binding pose prediction and binding energy estimation was tested using the PDBbind core set.

Cognate docking has been used as a test for pose prediction quality in docking engines for decades.

We have shown in a previous study that protein-based pharmacophore models can be applied for ligand pose prediction and pose ranking.

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

In this study, we developed a continuum membrane model utilizing a level set formulation under the numerical Poisson Boltzmann framework within the Amber molecular mechanics suite for applications such as protein ligand binding affinity and docking pose predictions.

The numeric results for the pose-recapitulation benchmark, pose predictions for the prospectively discovered substrates, and the genome neighborhood network for EFI-501083.

For the binding pose predictions, the recently reported X-ray crystal structure of mPGES-1 with the co-crystallized ligand (PDB code: LVJ; PDB accession code: 4bpm) was utilized for the docking study.

A large model uncertainty leads to a large variation in the model prediction, which poses a significant challenge in a geotechnical design.