Sentence examples similar to ligand docking programs from inspiring English sources

Molecular docking studies were performed using GOLD (Genetic Optimization for Ligand Docking) program version 5.1.

The optimized models were docked with ATP with the automated ligand docking program ASEDock2005 [22] (Ryoka Systems, Japan) operated in the Molecular Operating Environment.

Protein-ligand docking programs are used for the placement of small molecules within the binding pocket of target proteins (receptors) and to rank them according to their binding affinity [9, 10].

VHELIBS can be used to choose structures where both the binding site and the ligand are well modeled, in order to validate the performance of different protein-ligand docking programs.

Historically, protein-ligand docking programs have been susceptible to bias based on the size of the compound [16].

This method was applied to the analysis of a set of 142 receptors and 142 compounds using a receptor-ligand docking program, Sievgene [Y.

Using a standard protein-ligand docking program with only minor modifications, four new ligands with binding affinities in the micromolar range were identified, including two compounds based on molecular scaffolds not resembling known ligands.

The complexes were docked into DNA-base-pairs using the 'GOLD' (Genetic Optimization for Ligand Docking), docking program.

GOLD (Genetic Optimization for Ligand Docking), a docking program based on genetic algorithm [39] [42] was used to dock the ligands to the protein active sites.

Genetic optimization for ligand docking (GOLD) program [ 46] was used for docking study and the GOLD score option was selected as the fitness function, denoted in short form as GOLD fitness score (GFS).

The fit values ranged from 62 to 8. The hit compounds were also docked using the Genetic Optimisation for Ligand Docking (GOLD) program 12 in standard parameter mode into the defined annexin A2 binding pocket of the S100A10 receptor.