Sentence examples for suitable docking from inspiring English sources

Initially, selection of suitable docking program for our target of interest was possible by re-docking with GOLD, MOE, and Surflex programs.

Apart from the selection of a suitable docking tool, the success rate of VS tools depends strongly on various factors, such as the protonation/tautomerization state of the respective protein binding site residues [26] and of the input molecules [27 30], as well as the force field-minimized input conformation of the respective input molecules [31 35].

The availability of suitable docking sites or specific partner proteins may play a role in stabilization (Le Rumeur et al., 1804).

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

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.

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].

It indicates that the binding domain in the crystallography structure of target protein will be suitable for docking simulation as the residues in the binding domain have no significant variation.

A small area of land on the Canadian side is the only location suitable to dock boats overnight and store them in the winter.