Workflow Type: Galaxy
Open
This 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 |
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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
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Creators and Submitter
Creators
Not specifiedAdditional credit
Tim Dudgeon, Simon Bray, Gianmauro Cuccuru, Björn Grüning, Rachael Skyner, Jack Scantlebury, Susan Leung, Frank von Delft
Submitter
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Created: 10th Apr 2020 at 15:51
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