Targeting protein-ligand neosurfaces using a generalizable deep learning approach
A. Marchand, S. Buckley, A. Schneuing, M. Pacesa, P. Gainza, E. Elizarova, R. M. Neeser, P.-W. Lee, L. Reymond, M. Elia, L. Scheller, S. Georgeon, J. Schmidt, P. Schwaller, S. J. Maerkl, , B. E. Correia
This paper designs proteins that target neosurfaces from protein-ligand complexes using a deep learning approach, validated experimentally against three drug-bound protein complexes.
bioRxiv · Mar 25, 2024 · PreprintBiochemistry