Screening
The Screen Ligands tool found in the Toolbox does the same as the Dock Ligands tool, except a few options are different in the wizard. This means that many of the aspects to consider for improving a docking also apply to screenings.
The results obtained with a virtual screening should enrich the molecule library by ranking the molecules such that the top-ranked set have a higher percentage of hits than the overall library. Just as for in-vitro screenings, a number of false positives and false negatives are to be expected for a virtual screening.
To improve the accuracy of the screening, a number of points can be considered relating to the protein target (Protein Target), the molecules in the screening library (Screening library) and the screening simulation (Screening simulation) itself.