Sentence examples for docking methods in from inspiring English sources

Other studies, such as [7, 8], also successfully demonstrated the use of similar docking methods in identifying DTIs and in drug repositioning.

It is not the goal of the present study to outperform ab initio docking methods in the context of docking with zero experimental data.

Simulated Annealing docking method in the Affinity module was used to dock each bioflavonoid molecule into the candidate binding pockets.

A modified consensus method that utilizes only 2 docking programs (AutoDock & eHits) exhibited an improved correlation to 41%, which was better than any single docking method in the set.

Since Fold-X is a kind of docking method for special ligands, it would be interesting to compare the predictive performance of this method with that of a non-specialized state-of-the-art docking method in order to assess the advancement achieved by the special parametrization of protein-metal-ion interactions in Fold-X.

The Lamarckian genetic algorithm, which is considered one of the most appropriate docking methods available in AutoDock, was used in the docking analysis (Paul et al. 2017).

The docking methods adopted in this study have been verified with the available crystal geometry of 1-methyl-2- pentafluorobenzyloxyimino pyridinium compound in aged soman inhibited human BChE (PDB code: 4B0P).

We have also tried to model adiponectin-examers and higher polymers by docking methods because in PDB there are not structures that can be used as template but only the trimer of mouse adiponectin.

Complexes generated by the docking methods used in this work always have this property.

The Surflex-Dock method in the Sybyl package was used to carry out molecular docking simulations to dock the ligands into a receptor's ligand binding site and represent the interaction strength.

In this paper pharmacophore mapping, molecular docking methods were employed in a virtual screening strategy to identify leads for FBPase-2.