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
Total size: 13.3 KB
help Creators and Submitter
Creators
  • Tim Dudgeon
  • Simon Bray
  • Gianmauro Cuccuru
  • Björn Grüning
  • Rachael Skyner
  • Jack Scantlebury
  • Susan Leung
  • Frank von Delft
Submitter
License
Activity

Views: 816   Downloads: 50

Created: 10th Apr 2020 at 15:51

Last used: 27th Jan 2022 at 06:01

help Tags
help Attributions

None

Version History

Version 1 (earliest) Created 10th Apr 2020 at 15:51 by Bert Droesbeke

Added/updated 3 files


Open master 01fdcab

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