METHOD FOR STRUCTURE-BASED VIRTUAL SCREENING

摘要

A method for structure-based virtual screening is disclosed, particularly characterised in that compounds for investigation are categorised or sorted into a catalogue according to the physicochemical and steric properties thereof, the physicochemical and steric properties of a target are determined, the part(s) of the catalogue which match the determined properties of the target are determined and only the compounds in these parts of the catalogue are screened against the target.