Cheminformatics - TransFS scoring
Version 1

Workflow Type: Galaxy

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
0_Input Dataset n/a n/a
  • File
1_Input Dataset Collection n/a n/a
  • File

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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Additional credit

Tim Dudgeon, Simon Bray, Gianmauro Cuccuru, Björn Grüning, Rachael Skyner, Jack Scantlebury, Susan Leung, Frank von Delft

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Views: 2538   Downloads: 298

Created: 10th Apr 2020 at 15:51

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