Cheminformatics - SuCOS scoring
Version 1

Workflow Type: Galaxy

This workflow generates binding scores that correlate well with binding affinities using an additional tool SuCOS Max, developed at Oxford University. More info can be found at https://covid19.galaxyproject.org/cheminformatics/

Inputs

ID Name Description Type
0_Input Dataset Collection n/a n/a
  • File
1_Input Dataset n/a n/a
  • File

Steps

ID Name Description
2_Collapse Collection n/a n/a
3_SDF sort and filter n/a n/a
4_Split file n/a n/a
5_Max SuCOS score n/a n/a
6_Collapse Collection n/a n/a

Version History

Version 1 (earliest) Created 10th Apr 2020 at 15:50 by Bert Droesbeke

Added/updated 3 files


Open master 9415efb
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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
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Activity

Views: 1380   Downloads: 52

Created: 10th Apr 2020 at 15:50

Last used: 29th Jun 2022 at 17:03

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Total size: 17.1 KB
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