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/

Click and drag the diagram to pan, double click or use the controls to zoom.

SEEK ID: https://workflowhub.eu/workflows/16?version=1

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

Creators and Submitter

Creators

Not specified

Additional credit

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

Submitter

Bert Droesbeke

License

MIT License (MIT)

Activity

Views: 7139 Downloads: 1491 Runs: 0

Created: 10th Apr 2020 at 15:51

Cheminformatics - TransFS scoring Version 1