Application of the SwissDrugDesign Online Resources in Virtual Screening
by
Antoine Daina 1 and
Vincent Zoete 1,2,*
Antoine Daina 1 and
Vincent Zoete 1,2,*
1
Molecular Modeling Group, SIB Swiss Institute of Bioinformatics, University of Lausanne, Quartier UNIL-Sorge, Bâtiment Amphipôle, CH-1015 Lausanne, Switzerland
2
Department of Fundamental Oncology, University of Lausanne, Ludwig Lausanne Branch, Route de la Corniche 9A, CH-1066 Epalinges, Switzerland
*
Author to whom correspondence should be addressed.
Int. J. Mol. Sci. 2019, 20(18), 4612; https://doi.org/10.3390/ijms20184612
Received: 15 August 2019 / Revised: 13 September 2019 / Accepted: 14 September 2019 / Published: 18 September 2019
(This article belongs to the Special Issue Recent Advances in Virtual Screening)
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.
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Keywords:
virtual screening; computer-aided drug design; SwissSimilarity; SwissTargetPrediction; web-based tools
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MDPI and ACS Style
Daina, A.; Zoete, V. Application of the SwissDrugDesign Online Resources in Virtual Screening. Int. J. Mol. Sci. 2019, 20, 4612.
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