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Showing 33 results. Use the filters on the left and the search box below to refine the results.

Workflow HLA ligandomics workflow using OpenMS and ... (2)

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HLA ligandomics workflow combining native KNIME, OpenMS, and ImmunoNodes nodes. The workflow extracts MS data from PRIDE and performs mass spectra identification with X!Tandem, annotates the results with details of the given target/decoy database, calculates false discovery rates and filters for 5% FDR using OpenMS’ nodes. The identified peptides are annotated with their respective binding affinity predicted by NetMHC using the EpitopePrediction node. Finally, simple summary statistics ...

Created: 2016-11-30 | Last updated: 2017-04-11

Credits: User Mathias Walzer

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User Nainapandita

Joined: Wednesday 12 August 2009 10:28:48 (UTC)

No description

Last active:Monday 22 March 2010 08:42:31 (UTC)

Website:http://openmed.nic.in | Email (public):naina.pandita [at] gmail.com

Field/Industry:Medica lnformatics

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Workflow RetroPath2.0-Mods-metabolomics (2)

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Set of workflows for the "Metabolome completion and metabolomics" use case:1) Produces a list of molecules using a user defined set of rules (RetroPath2.0 workflow).2) Takes as input the products generated by RetroPath2.0 and prepare the files to be read by OpenMS nodes.3) The last workflow finally searches for each produced compound the corresponding peak in some MS spectra.See [1] for details. How to useSee instructions embedded in the workflow.Usage specificationsThe workflo...

Created: 2017-06-30 | Last updated: 2018-11-14

Credits: User Thomas Duigou Network-member BioRetroSynth

Attributions: Workflow RetroPath2.0 - a retrosynthesis workflow with tutorial and example data

Workflow ENM Maxent workflow used for optimization (1)

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This workflow was used for the optimization of the Maxent algorithm from the openModeller toolbox (http://openmodeller.sourceforge.net/). The workflow uses 10-fold cross-validation and then calculates the average AUC, which can be used as fitness value during parameter optimization.

Created: 2013-08-09 | Last updated: 2013-09-04

Credits: User Sonja Holl User Renato De Giovanni

Workflow ENM SVM workflow used for optimization (1)

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This workflow was used for the optimization of the SVM algorithm from the openModeller toolbox (http://openmodeller.sourceforge.net). The workflow uses 10-fold cross-validation and then calculates the average AUC, which can be used as fitness value during parameter optimization.

Created: 2013-08-09 | Last updated: 2013-09-04

Credits: User Sonja Holl User Renato De Giovanni

User Renato De Giovanni

Joined: Sunday 27 November 2011 12:53:38 (UTC)

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Last active:Thursday 11 June 2015 13:23:24 (UTC)

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Pack Pack #4 - Metabolome completion and metabolomics


Created: 2017-06-30 16:36:44 | Last updated: 2017-12-19 10:22:42

This pack provides part of the supporting material for:Koch M, Duigou T, Carbonell P, Faulon JL. Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0. Journal of Cheminformatics, 9:64, 2017. https://doi.org/10.1186/s13321-017-0252-9The pack contains (i) the RetroPath2.0-Mods-metabolomics workflow as well as (ii) all the associated data for the metabolome completion use case (see the main text for details, section 2.4 Metabolome completion and metabolo...

2 items in this pack

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Project Biovel

Workflow get_available_layers (8)

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Retrieves all available environmental layers from the openModeller web service and optionally from the BioSTIF service. In the first case, a single XML is returned according to the openModeller XML Schema, and in the second case a list of XML is returned for each BioSTIF workspace.

Created: 2013-12-06 | Last updated: 2015-03-26

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Project Biovel

Workflow convert_points_xml_to_csv (4)

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Converts points in openModeller XML format into CSV format (header: occurrenceID,nameComplete,decimalLongitude,decimalLatitude). Most input/output ports related with presence or absence points expect/return data in openModeller XML format. This component can be used to simply convert such data back to a more human friendly format.

Created: 2014-11-05 | Last updated: 2015-05-11

Credits: Network-member BioVeL

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Project Biovel

Workflow project_model (9)

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Projects a model based on the specified parameters.

Created: 2013-12-24 | Last updated: 2014-12-04

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