XChem combined Version 1
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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 |
Creators and SubmitterLicense
Activity
Views: 850 Downloads: 26
Created: 8th Apr 2020 at 11:41
Last used: 29th Nov 2021 at 11:26
AttributionsNone
Version History
Version 1 (earliest) Created 8th Apr 2020 at 11:41 by Kiran K Telukunta
Added/updated 1 files
Open
master95fb745
Related items
https://orcid.org/0000-0002-3219-9240
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