Sentence examples for by the docking process from inspiring English sources

The protein-ligand interactions of the poses obtained by the docking process (a maximum of 32 poses per ligand) were analyzed with LigandScout v2.03 (Inte:ligand GmbH, Vienna, Austria, http://www.inteligand.com/ligandscout) [68].

Feasibility of the cross-linking reaction of o-NAD with Hb was assessed by studying the docking process of o-NAD within the 2,3-DPG pocket of Hb.

The Go-model simulation of protein/protein and protein/DNA recognition showed that an unfolded region in a monomer helps speed up the docking process by reeling in the partner once the initial contact between the monomers has been made (Shoemaker et al., 2000).

These alterations eventually result in exposure of residues 672 and 673, which are then bound by the mAb in the second stage of the docking process.

The docking process in HADDOCK is driven by ambiguous interaction restraints (AIRs), which are derived from the available experimental information on the residues involved in the intermolecular interaction.

Upon completion of the docking process, the models were exported, viewed and analyzed by PyMOL (academic version 1.3).

The issue considered in this paper is the dynamic behavior of flexible probe based on space probe-cone docking mechanism in the docking process.

Finally, the predictions are used to filter the docking results, rather than to drive the docking process.

In the docking process, the standard flexible docking protocol was performed.

The selection radius for automatic docking was 6.5 Å, and the docking process was iterated 30 times per ligand.

During the docking process, the protein was considered to be rigid while the ligands were flexible.