Sentence examples for molecular docking tool from inspiring English sources

AutoDock4 is acknowledged to be one of the most reliable and broadly used molecular docking tool [5], with several examples of accurate docking predictions already published [6, 7].

The jobs within the batch comprise a parameter sweep computation, in which the same function is applied to a range of prescribed input data sets - in this case employing the Autodock molecular docking tool [26] to find binding sites between a simple ligand molecule and a more complex protein.

We used an online molecular docking tool "Docking Server".

Besides the molecular docking tool, the VS strategy involves the use of ligand databases.

The molecular docking tool AutoDock4.2 was used to identify the putative binding site of SB-RA-2001 SB-RA-2001 SB-RA-2001sZ monomer.

The binding mode of compound 6k with GSK-3β was simulated using molecular docking tools.

In this study, the molecular docking tools were utilized to investigate the interactions of CaM with chrysin.

In the absence of SARS-CoV Mpro crystal structures in complex with these synthetic inhibitors, molecular docking tools have been employed to study possible interactions between these inhibitors and SARS-CoV Mpro.

In this work, the binding energies, inhibition constants and binding modes of a group of previously synthesized Piperine derivatives at the binding site of Survivin have been studied using molecular docking tools and the best compounds with minimum binding energies are proposed as potential drugs for the inhibition of Survivin.

Several molecular docking tools, using different approaches, have been developed [1].

Molecular docking tools and high throughput screening methods are improving rapidly and can have excellent accuracy for evaluating nuclear receptor interactions and screening multiple end points.