Cheminformatics - TransFS scoring
Version 1

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
#main/0_Input Dataset n/a n/a File
#main/1_Input Dataset Collection n/a n/a File

Steps

ID Name Description
#main/2_Collapse Collection
#main/3_Split file
#main/4_XChem TransFS pose scoring
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: 430   Downloads: 32

Created: 10th Apr 2020 at 15:51

Last used: 1st Mar 2021 at 00:39

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Version History

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

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