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 |
---|---|---|---|
#main/0_Input Dataset Collection | n/a | n/a | File |
#main/1_Input Dataset | n/a | n/a | File |
Steps
ID | Name | Description |
---|---|---|
#main/2_Collapse Collection | ||
#main/3_SDF sort and filter | ||
#main/4_Split file | ||
#main/5_Max SuCOS score | ||
#main/6_Collapse Collection |

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Views: 490 Downloads: 31
Created: 10th Apr 2020 at 15:50
Last used: 25th Feb 2021 at 09:38


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