Sentence examples for docking application from inspiring English sources
Subsequently the rigid receptor docking was performed with the extra precision mode of the Glide 5.7 Ligand Docking application.
Figure 1 illustrates this workflow for CADDSuite with its docking application IMGDock.
The docking application IMGDock also relies on precalculated interaction grids and uses a multigreedy approach for ligand placement [ 3].
To evaluate the acceleration of protein-protein docking application using accelerators, we measured the MEGADOCK execution performance using CPUs, a GPU, and a MIC.
Docking tools belong to the category of structure-based virtual screening methods and our approach uses the docking application IMGDock, a tool of the software framework CADDSuite (Computer-Aided Drug Design) [ 3].
Author's response: The following articles illustrate some examples of docking application to accurate prediction of protein complexes: * Prediction of multimolecular assemblies by multiple docking (PMID: 15890207).
UCSF Dock is one of the most frequently used molecular docking applications in VS studies [2].
The latter show that the global localization technique guarantees accurate positioning and that the sensor fusion can be used for docking applications.
Furthermore, for homology derived protein structures there are often ambiguities in side-chain placement and uncertainties in loop modeling which may be critical for docking applications.
Furthermore, a high prediction accuracy against pockets identified by eFindSite demonstrates that Vina can be used in large-scale docking applications, for example, those employing structural genomics targets with computationally detected binding sites.
This is problematic in applications where the energy values are important, for example when placing small molecules in docking applications; the relatively small binding energy of the small molecule is drowned by the large energy due to atomic clashes that hampers finding the lowest energy state of the docked ligand.
