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WIWS: a protein structure bioinformatics Web service collection

The WHAT IF molecular-modelling and drug design program is widely distributed in the world of protein structure bioinformatics. Although originally designed as an interactive application, its highly modular design and inbuilt control language have recently enabled its deployment as a collection of p...

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Detalles Bibliográficos
Autores principales: Hekkelman, M. L., te Beek, T. A. H., Pettifer, S. R., Thorne, D., Attwood, T. K., Vriend, G.
Formato: Texto
Lenguaje:English
Publicado: Oxford University Press 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2896166/
https://www.ncbi.nlm.nih.gov/pubmed/20501602
http://dx.doi.org/10.1093/nar/gkq453
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author Hekkelman, M. L.
te Beek, T. A. H.
Pettifer, S. R.
Thorne, D.
Attwood, T. K.
Vriend, G.
author_facet Hekkelman, M. L.
te Beek, T. A. H.
Pettifer, S. R.
Thorne, D.
Attwood, T. K.
Vriend, G.
author_sort Hekkelman, M. L.
collection PubMed
description The WHAT IF molecular-modelling and drug design program is widely distributed in the world of protein structure bioinformatics. Although originally designed as an interactive application, its highly modular design and inbuilt control language have recently enabled its deployment as a collection of programmatically accessible web services. We report here a collection of WHAT IF-based protein structure bioinformatics web services: these relate to structure quality, the use of symmetry in crystal structures, structure correction and optimization, adding hydrogens and optimizing hydrogen bonds and a series of geometric calculations. The freely accessible web services are based on the industry standard WS-I profile and the EMBRACE technical guidelines, and are available via both REST and SOAP paradigms. The web services run on a dedicated computational cluster; their function and availability is monitored daily.
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spelling pubmed-28961662010-07-02 WIWS: a protein structure bioinformatics Web service collection Hekkelman, M. L. te Beek, T. A. H. Pettifer, S. R. Thorne, D. Attwood, T. K. Vriend, G. Nucleic Acids Res Web Services The WHAT IF molecular-modelling and drug design program is widely distributed in the world of protein structure bioinformatics. Although originally designed as an interactive application, its highly modular design and inbuilt control language have recently enabled its deployment as a collection of programmatically accessible web services. We report here a collection of WHAT IF-based protein structure bioinformatics web services: these relate to structure quality, the use of symmetry in crystal structures, structure correction and optimization, adding hydrogens and optimizing hydrogen bonds and a series of geometric calculations. The freely accessible web services are based on the industry standard WS-I profile and the EMBRACE technical guidelines, and are available via both REST and SOAP paradigms. The web services run on a dedicated computational cluster; their function and availability is monitored daily. Oxford University Press 2010-07-01 2010-05-25 /pmc/articles/PMC2896166/ /pubmed/20501602 http://dx.doi.org/10.1093/nar/gkq453 Text en © The Author(s) 2010. Published by Oxford University Press. http://creativecommons.org/licenses/by-nc/2.5 This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License (http://creativecommons.org/licenses/by-nc/2.5), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Web Services
Hekkelman, M. L.
te Beek, T. A. H.
Pettifer, S. R.
Thorne, D.
Attwood, T. K.
Vriend, G.
WIWS: a protein structure bioinformatics Web service collection
title WIWS: a protein structure bioinformatics Web service collection
title_full WIWS: a protein structure bioinformatics Web service collection
title_fullStr WIWS: a protein structure bioinformatics Web service collection
title_full_unstemmed WIWS: a protein structure bioinformatics Web service collection
title_short WIWS: a protein structure bioinformatics Web service collection
title_sort wiws: a protein structure bioinformatics web service collection
topic Web Services
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2896166/
https://www.ncbi.nlm.nih.gov/pubmed/20501602
http://dx.doi.org/10.1093/nar/gkq453
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