| Products/Services Used | Details | Operation |
|---|---|---|
| Protein and Antibody Isolation | performed using a KingFisher Duo Prime Purification System (ThermoFisher) in a 96-well plate. 250 pmol of WDR91 was captured by 35 L of Ni-charged MagBeads (Genscript L00295) in selection buffer (20 mM HEPES, 0.01% Triton-X (w/v), 5 mM MgCl 2 , 150 mM NaCl, 0.3 mg/mL salmon sperm DNA, 10 mM imidazole, pH 7.5) for 30 total volume of 100 L. The sample was incubated with intermittent mixing for 1 h at room temperature after which Ni++ MagBeads were added to the sample (Genscript E3296). After mixing for 30 min to capture the his-tagged protein, the beads were washed 5 1 min in subsequent wells of the plate containing 500 L | Get A Quote |
Machine learning (ML) is increasingly used in DNA-encoded library (DEL) screening for ligand discovery, but its success depends on access to suitable data sets, which are often proprietary and costly. To overcome this, we present the first fully open, automated DEL-ML framework using public DEL data sets and chemical fingerprints to enable reproducible, accessible drug discovery. Our workflow from model training to virtual screening and compound selection requires no human intervention. As a proof of concept, we identified binders for WDR91 by training ML models on the HitGen OpenDEL library (3B molecules) and screening the Enamine REAL Space library (37B molecules), yielding 50 candidates. Experimental testing... More
