Sentence examples for accuracy of molecular docking from inspiring English sources

To address these issues, we developed a procedure to customize the box size for individual query ligands in order to maximize the accuracy of molecular docking.

For validation of molecular docking co-crystallised uridine derivative was re-docked on bacterial protein WAAG (PDB: 2IW1) (Table 4).

The results of Molecular docking simulations determine a general binding mode of ligand.

Thus, an optimally confined search space is critical for the success of molecular docking.

In the context of molecular docking, these results demonstrate the importance of considering side-chain flexibility and define a natural threshold for the accuracy of rigid docking algorithms tested on an unbiased non-redundant dataset.

The results of molecular docking are ranked according to the docking score.

The efficiency of molecular docking using AutoDock is also dependent on the docking protocol used.

For each conformer 10 cycles of molecular docking was performed.

Ranking the result of molecular docking by docking score, the top three TCM compounds can be selected (Table 1).

The results of molecular docking are sorted by Dock score, -PLP1, -PLP2, H-bond forming residues, and H-bond quantity.

Protein/receptor explicit flexibility has recently become an important feature of molecular docking simulations.