title: Combining ligand-based and structure-based drug design in the virtual screening arena.
abstract: The aim of virtual high-throughput screening is the identification of biologically relevant molecules among either tangible or virtual (large) collections of compounds. Likewise, high-throughput screening (HTS) and high-throughput virtual screening (HTVS) methods are becoming very important within the drug discovery process. HTVS methods can be categorised as either 'ligand-based' or 'structure-based' depending on if a direct knowledge of the three-dimensional target structure is required. A summary of the most promising computational approaches is reviewed. Advantages and shortcomings of the methodology are also discussed.
authors.affiliation: University of Padova, Molecular Modelling Section, Department of Pharmaceutical Sciences, Via Marzolo, 5 - 35100 Padova, Italy. stefano.moro@unipd.it.
authors.forename: Stefano
authors.initials: S
authors.lastname: Moro
authors.forename: Magdalena
authors.initials: M
authors.lastname: Bacilieri
authors.forename: Francesca
authors.initials: F
authors.lastname: Deflorian