AI-guided pipeline for protein-protein interaction drug discovery identifies a SARS-CoV-2 inhibitor
Philipp Trepte, Christopher Secker, Julien Olivet, Jérémy Blavier, Simona Kostova, Sibusiso B. Maseko, Igor Minia, Eduardo Silva Ramos, Patricia Cassonnet, Sabrina Golusik, Martina Zenkner, Stephanie Beetz, Mara J. Liebich, Nadine Scharek, Anja Schütz, , Erich E. Wanker
The paper presents an AI-guided pipeline for PPI drug discovery, identifying a SARS-CoV-2 inhibitor by combining experimental assays, machine learning, and virtual screening.
Molecular Systems Biology · Mar 11, 2024Peer-reviewedSystems Biology