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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...

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Detalles Bibliográficos
Autores principales: Daina, Antoine, Zoete, Vincent
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
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.
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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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