Application of the SwissDrugDesign Online Resources 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 SwissTargetPredi...
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doaj-25f402bc9f134ea588334cf86873d1b32020-11-24T22:14:49ZengMDPI AGInternational Journal of Molecular Sciences1422-00672019-09-012018461210.3390/ijms20184612ijms20184612Application of the SwissDrugDesign Online Resources in Virtual ScreeningAntoine Daina0Vincent Zoete1Molecular Modeling Group, SIB Swiss Institute of Bioinformatics, University of Lausanne, Quartier UNIL-Sorge, Bâtiment Amphipôle, CH-1015 Lausanne, SwitzerlandMolecular Modeling Group, SIB Swiss Institute of Bioinformatics, University of Lausanne, Quartier UNIL-Sorge, Bâtiment Amphipôle, CH-1015 Lausanne, SwitzerlandSwissDrugDesign 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.https://www.mdpi.com/1422-0067/20/18/4612virtual screeningcomputer-aided drug designSwissSimilaritySwissTargetPredictionweb-based tools |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Antoine Daina Vincent Zoete |
spellingShingle |
Antoine Daina Vincent Zoete Application of the SwissDrugDesign Online Resources in Virtual Screening International Journal of Molecular Sciences virtual screening computer-aided drug design SwissSimilarity SwissTargetPrediction web-based tools |
author_facet |
Antoine Daina Vincent Zoete |
author_sort |
Antoine Daina |
title |
Application of the SwissDrugDesign Online Resources in Virtual Screening |
title_short |
Application of the SwissDrugDesign Online Resources in Virtual Screening |
title_full |
Application of the SwissDrugDesign Online Resources in Virtual Screening |
title_fullStr |
Application of the SwissDrugDesign Online Resources in Virtual Screening |
title_full_unstemmed |
Application of the SwissDrugDesign Online Resources in Virtual Screening |
title_sort |
application of the swissdrugdesign online resources in virtual screening |
publisher |
MDPI AG |
series |
International Journal of Molecular Sciences |
issn |
1422-0067 |
publishDate |
2019-09-01 |
description |
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. |
topic |
virtual screening computer-aided drug design SwissSimilarity SwissTargetPrediction web-based tools |
url |
https://www.mdpi.com/1422-0067/20/18/4612 |
work_keys_str_mv |
AT antoinedaina applicationoftheswissdrugdesignonlineresourcesinvirtualscreening AT vincentzoete applicationoftheswissdrugdesignonlineresourcesinvirtualscreening |
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