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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6770839/ https://www.ncbi.nlm.nih.gov/pubmed/31540350 http://dx.doi.org/10.3390/ijms20184612 |
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author | Daina, Antoine Zoete, Vincent |
author_facet | Daina, Antoine Zoete, Vincent |
author_sort | Daina, Antoine |
collection | PubMed |
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. |
format | Online Article Text |
id | pubmed-6770839 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-67708392019-10-30 Application of the SwissDrugDesign Online Resources in Virtual Screening Daina, Antoine Zoete, Vincent Int J Mol Sci Review 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. MDPI 2019-09-18 /pmc/articles/PMC6770839/ /pubmed/31540350 http://dx.doi.org/10.3390/ijms20184612 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Review Daina, Antoine Zoete, Vincent Application of the SwissDrugDesign Online Resources in Virtual Screening |
title | 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_short | Application of the SwissDrugDesign Online Resources in Virtual Screening |
title_sort | application of the swissdrugdesign online resources in virtual screening |
topic | Review |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6770839/ https://www.ncbi.nlm.nih.gov/pubmed/31540350 http://dx.doi.org/10.3390/ijms20184612 |
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