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Clustering FragmentScreeningHits With a Self-Organizing Map (SOM) In a paper, " Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking ", published last year by scientists from UCSF and the Diamond Light Source, the authors reported more than 200 structures of fragments bound (..)
In terms of compound libraries, we have a high-throughput screening library of about 200,000 ligands. For fragmentscreening, which are much smaller compounds, we have a library of about 3000 fragments. We can screen with many different formats and modalities.
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