XChem combined
Version 1

Workflow Type: Galaxy

The workflow is part of COVID-19 analysis on usegalaxy.★

Virtual screening of the SARS-CoV-2 main protease (de.NBI-cloud, STFC)

Steps

ID Name Description
0 Receptor
1 Active site
2 Candidate ligands
3 Reference moelcules
4 XChem Docking 9101c9ffd39703a3
5 XChem TransFS Scoring be845e32edfb8be9
6 XChem SuCOS Scoring e660077a31d6ae70

Version History

Version 1 (earliest) Created 8th Apr 2020 at 11:41 by Kiran K Telukunta

Added/updated 1 files


Open master 95fb745
help Creators and Submitter
Creator
Additional credit

timdudgeon

Submitter
Activity

Views: 1052   Downloads: 31

Created: 8th Apr 2020 at 11:41

Last used: 22nd May 2022 at 01:07

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Total size: 49.8 KB
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