2 citations · 2 across the 2 of their papers we have counts for
2 papers
cs.LG2025
APEX: Approximate-but-exhaustive search for ultra-large combinatorial synthesis libraries
Aryan Pedawi, Jordi Silvestre-Ryan, Bradley Worley +5
Make-on-demand combinatorial synthesis libraries (CSLs) like Enamine REAL have significantly enabled drug discovery efforts. However, their large size presents a challenge for virt…
q-bio.QM2021★ 2 cited
Learning physics confers pose-sensitivity in structure-based virtual screening
Pawel Gniewek, Bradley Worley, Kate Stafford +2
In drug discovery, structure-based virtual high-throughput screening (vHTS) campaigns aim to identify bioactive ligands or "hits" for therapeutic protein targets from docked poses…