Additional file 1 of Galaxy workflows for fragment-based virtual screening: a case study on the SARS-CoV-2 main protease

Authors :: Bray, Simon
Dudgeon, Tim
Skyner, Rachael
Backofen, Rolf
Grüning, Björn
von Delft, Frank
Publication Year :: 2022
Publisher :: figshare, 2022.
Abstract: Additional file 1: Fig. S1. Fragments used as a basis for the virtual screening. Table S1. 99th percentile of TransFS and SuCOS scores per fragment. Fig. S2. Top scoring compounds by dcTMD. Table S2. Links for accessing the workflows.

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