Sentence examples for using the moe docking from inspiring English sources

While the molecular docking was carried out to predict the most probable inhibition and binding mechanisms of these antibacterial and antifungal agents using the MOE docking suite against few reported target proteins.

The yeast homology model was built using the MOE software (Chemical Computing Group).

In the Schmuker and Schneider (2007) approach, a set of 184 physicochemical descriptors is calculated using the MOE software (Chemical Computing Group).

We combined a ligand-based pharmacophore design with a structure-based protein/ligand docking using the software MOE in order to evaluate the underlying structure/activity relationship.

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

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

Secondly, we study the properties of a peptide design problem using the software MOE.

Structures of all qualifying bioactive compounds were standardized using the Molecular Operating Environment (MOE) and transformed into canonical SMILES strings.

The MOE-Dock default parameters were used for the docking simulation.

Green density is used in combination with velocity (V), determined from resonance, to predict MOE using the following equation: MOE = V 2 ρ g (1).

Apical vertebral rotation (AVR) was assessed using the Nash-Moe grading.