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
Total size: 17.1 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: 1100   Downloads: 47

Created: 10th Apr 2020 at 15:50

Last used: 27th Jan 2022 at 00:17

help Tags
help Attributions

None

Version History

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

Added/updated 3 files


Open master 9415efb

Related items

Powered by
(v.1.12.0-master)
Copyright © 2008 - 2021 The University of Manchester and HITS gGmbH

By continuing to use this site you agree to the use of cookies