Sentence examples for docking engine from inspiring English sources

In the published literature related to docking-based IVS, the choice of a docking engine is quite arbitrary.

Here, we review the method of docking-based IVS, including the target database, docking engine, and scoring function components of this method.

Table 2 Available web servers of the docking-based IVS Web server Description URL TarFisDock Using DOCK4.0 as the docking engine and PDTD as the target database.

DOCK4.0 is employed as the docking engine.

AutoDock and AutoDock Vina can be selected as docking engine.

The ICM program (Abagyan et al. 1994) was employed as the docking engine.

In this article, the methods employed in docking-based IVS are reviewed in detail, including target databases, docking engines, and scoring function methodologies.

Cognate docking has been used as a test for pose prediction quality in docking engines for decades.

Here, we artificially separate scoring functions from docking engines, not only because scoring functions play an essential role in every docking protocol, but also because they are employed to pick potential targets out of a database in IVS.

In this work we present MOLA an easy-to-use software tool that performs parallel virtual screening of compound databases against protein receptors, using AutoDock4 or Vina as docking engines.

While cognate docking is not the problem that docking engines are put to in their normal use (that being cross docking), it is expected that good performance in cognate docking is a necessary but not sufficient condition for good performance in cross docking.