Sentence examples for information docking from inspiring English sources

By exploiting experimental information, docking has created model structures for real applications, even when confronted with challenges such as moving backbones and uncertain monomer structures.

In the absence of experimental information, docking programs are necessary for ligand positioning, and the choice of a reliable program is essential for the success of such an optimization.

With this information, a docking study was conducted to find the inhibitors of this enzyme.

This information guided docking studies and molecular dynamics simulations (50 000 ps) that supports 2d putative binding profile (H-bonding to Ser-111 and Leu-66) and shall be useful to design more potent inhibitors.

This qualitative identification of interacting parts of the ligand provides another source of information for docking.

This has been at the core of our information-driven docking approach HADDOCK.

Information-driven docking [ 279] can mitigate this problem by utilizing mass spectroscopy and interaction data, the latter of which is often difficult to obtain, but can be provided by PPIS prediction.

Docking parameter file on the other hand contains information about the docking algorithm to be used.

Tripeptide as an activator of SIRT1 were screened on the basis of structural information by molecular docking and synthesized by solid phase method.

One possibility to overcome these problems is the inclusion of additional, preferably experimental information in the docking process.

Adding this kind of additional information to the docking has been shown to improve enrichment, though this may come at the expense of a reduction in ability to identify novel chemotypes [5].