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/

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


Open master 01fdcab
help Creators and Submitter
Creators
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Additional credit

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

Submitter
License
Activity

Views: 1342   Downloads: 60

Created: 10th Apr 2020 at 15:51

Last used: 29th Nov 2022 at 04:23

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Total size: 13.3 KB
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