Cheminformatics - TransFS scoring Version 1
Download RO-Crate
Run on GalaxyThis workflow generates binding scores that correlate well with binding affinities using an additional tool TransFS, developed at Oxford University. More info can be found at https://covid19.galaxyproject.org/cheminformatics/
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Inputs
| ID | Name | Description | Type |
|---|---|---|---|
| 0_Input Dataset | n/a | n/a |
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| 1_Input Dataset Collection | n/a | n/a |
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Steps
| ID | Name | Description |
|---|---|---|
| 2_Collapse Collection | n/a | n/a |
| 3_Split file | n/a | n/a |
| 4_XChem TransFS pose scoring | n/a | n/a |
Version History
Version 1 (earliest) Created 10th Apr 2020 at 15:51 by Bert Droesbeke
Added/updated 3 files
Open
master01fdcab
Creators and SubmitterCreators
Not specifiedAdditional credit
Tim Dudgeon, Simon Bray, Gianmauro Cuccuru, Björn Grüning, Rachael Skyner, Jack Scantlebury, Susan Leung, Frank von Delft
Submitter
Views: 4347 Downloads: 814 Runs: 0
Created: 10th Apr 2020 at 15:51
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https://orcid.org/0000-0003-0522-5674
The goal of COVID-19-Biohackathon 2020 (COVID-19-BH20) is to develop and gather computational tools that can be useful for studying the biology of the virus and the disease.
The COVID-19 Programme in Workflow Hub aims to gather workflows for the analysis of COVID-19 molecular biology data and their metadata. In this programme, all workflows and their metadata will be curated and made interoperable, reusable and reproducible. All workflows and their metadata will be easily accessible to everyone ...
Teams: Connor Lab, GalaxyProject SARS-CoV-2, InSaFLU, nf-core viralrecon, CWL workflow SARS-CoV-2, V-Pipe, Test team
Web page: https://github.com/virtual-biohackathons/covid-19-bh20
Ongoing analysis of COVID-19 using Galaxy, BioConda and public research infrastructures https://covid19.galaxyproject.org
Space: COVID-19 Biohackathon
Public web page: https://github.com/galaxyproject/SARS-CoV-2
