Sentence examples for binding poses were identified from inspiring English sources

Two slightly different clusters of binding poses were identified for EMD 57033 with comparable binding affinities.

It is also responsible for evaluating the binding affinity once the correct binding pose is identified.

As described above, inspection of our docking results showed that, as well as the two observed crystal poses for thiazolidinediones, alternate binding site poses were identified in compounds that proved to have high potency.

After the low-energy poses were identified, the relative binding energy of the ligands corresponding to each pose was evaluated.

The binding poses were visually inspected for 500 molecules.

Twenty different binding poses were generated per molecule and ranked according to their binding energies.

Obtained binding poses were clustered by RMSD (4 Å for heavy atoms).

For each compound up to 10 binding poses were ranked using the Chemgauss 4 scoring function.

Predicted binding poses were visualized and ligand protein interactions analyzed with LigandScout 3.03 (www.inteligand.com).

The 10 lowest energy binding poses were retained for each ligand.

The resulting binding poses were scored using the Hawkins GB/SA function of DOCK 6.