Sentence examples for using the inverse docking from inspiring English sources

To rationalize the observed cytotoxic effects, structure-based virtual screening was carried out against a pool of potential targets constructed using the inverse docking program Tarfisdock and bibliographical references.

For the inverse docking, the scoring will be inaccurate when αi dominates the ij.

From our data we established that the scoring for both the inverse dock [12] and the classical docking method could be improved through systematically mining the CPI.

We used the inverse-squared distance method.

Another application for virtual screening is predicting prospective targets for a particular chemical and its metabolites using inverse docking strategies.

The active compounds were docked on the active site of MK-2 using the same docking protocol.

The Progress spacecraft's automatic docking system failed, necessitating a manual docking controlled by Gidzenko using the TORU docking system.

Nitriles were docked in the models of wild-type and mutant nitrilases using the Surflex docking program (Tripos) [ 21].

Molecular docking was performed using the commercially available docking program FlexX [ 1].

The TPIMS inhibitors were docked with the two proteins using the open source docking program ADVina.

The docking of ligands was carried out using the docking program AutoDock Vina 1.1.0 (Trott and Olson 2010).