Sentence examples for suitable for docking from inspiring English sources

With the new-found ligand transposed to the query binding site and all the original ligands and water molecules removed, molecular minimization was performed on this complex to obtain an open binding site structure of the enzyme that was more suitable for docking.

Moreover, some of them will be more suitable for docking purposes than others.

When more experimental 3D structures become available for GPCRs in the future, this will help building reliable models for a wider range of GPCRs that would be suitable for docking studies.

The results of this study suggest that excessive energy minimization of a ligand alone may fold or partially fold the ligand, leading to a conformation that is more stable in its free state but not suitable for docking into a protein.

It indicates that the mTOR protein expresses a stable binding domain in protein folding and is suitable for docking simulation.

Vorinostat is a chemical compound suitable for docking into the active site of HDAC of classes I, II and IV [ 5, 68].

The re-docking of compound 4, suggested that the docking protocol is suitable for the docking analysis of comp.

As the residues in the binding domain have no significant variation, the crystallography structure of TRAF6 protein is a suitable receptor for docking simulation.

effective and safe procedures for docking;   c.

Because of the increasing number of ships suitable for bilge docking, the use of side shores to keep hulls upright in dry dock is a rapidly dying process, and indeed the altars provided for this purpose in dry docks of more old-fashioned design are often an embarrassment to the accommodation of a modern square-sectioned ship.

These structures were downloaded and treated to be suitable for molecular docking by Autodock4 [29] according to the procedure described previously [5].