Sentence examples for molecular docking that from inspiring English sources

The selected pairs of TFs were further subjected to molecular docking that resulted in pool of docked poses.

Thus far, we established a protocol for calculating the optimal box size for molecular docking that gives the best accuracy in binding pose prediction.

In this case, the Directory of Useful Decoys, Enhanced (DUD-E) [22], a benchmarking set for molecular docking that includes diverse targets such as GPCRs and ion channels, was used.

The obtained results, along with a 3D-QSAR study and molecular docking that were used for investigating the probable binding mode, could provide an important basis for further optimization of compound 6f as a novel anticancer agent.

It is during molecular docking that the best ligand fit into the receptor becomes available [ 4].

The antibody-antigen complex models were generated using the molecular docking that predicted the most favorable binding interaction.

This evidence was also corroborated by the molecular docking simulations that highlighted valuable insights regarding the intermolecular interactions between alginate chains and cationic dyes.

CDOCKER is a grid-based molecular docking method that employs CHARMm [42].

We have used GRAMM [21], a molecular docking programme that uses shape complementarity to assess the interaction of protein molecules, to probe the likely binding sites in the TLR4 dimer for the adaptors Mal and TRAM (Figure 4A, B).

CDOCKER is a grid-based molecular docking method that employs CHARMm.

Patchdock [ 24, 25] is a geometry-based molecular docking algorithm that can be used for protein-protein, protein-ligand, or protein-DNA docking.