Application of the SwissDrugDesign Online Resources in Virtual Screening

• Main Authors: Antoine Daina, Vincent Zoete
• Format: Article
• Language: English
• Published: MDPI AG 2019-09-01
• Series: International Journal of Molecular Sciences
• Subjects: virtual screening; computer-aided drug design; SwissSimilarity; SwissTargetPrediction; web-based tools
• Online Access: https://www.mdpi.com/1422-0067/20/18/4612

SwissDrugDesign is an important initiative led by the Molecular Modeling Group of the SIB Swiss Institute of Bioinformatics. This project provides a collection of freely available online tools for computer-aided drug design. Some of these web-based methods, i.e., SwissSimilarity and SwissTargetPrediction, were especially developed to perform virtual screening, while others such as SwissADME, SwissDock, SwissParam and SwissBioisostere can find applications in related activities. The present review aims at providing a short description of these methods together with examples of their application in virtual screening, where SwissDrugDesign tools successfully supported the discovery of bioactive small molecules.