Sentence examples for molecular docking packages from inspiring English sources

In the same way as the abovementioned examples, most molecular docking packages require co-crystallized ligands as a starting point to compute the docking box size.

After the preprocessing step, molecular docking software is used to dock each chemical in the library to the target receptor.

There are a large number of software packages for conducting the molecular docking simulations used in virtual screening, with the open-source packages AutoDock and DOCK, and the commercial packages GOLD, FlexX and ICM, among the most popular [5].

Furthermore, molecular docking study using LigandFit within the software package Discovery Studio 1.7 was done for lead optimization of these compounds as potential PTK inhibitors.

Molecular docking study was performed with GLIDE docking software.

The autodock 4.2 docking software was used to perform molecular docking simulation between rabbit muscle glycogen phosphorylase and quercetin, apigenin.

Molecular docking studies were performed using Molecular Operating Environment MOEE) software (www.chemcomp.com).

Molecular docking studies were performed using LeadIT software.

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.

MOE docking software was utilized to perform the molecular docking experiment.

The molecular docking was performed using the Sybyl-x 2.0 molecular modeling package (Tripos Inc., St . Louis MO) running on a Windows 7 32-bit workstation.