A Hybrid Physics-Deep Learning Framework for Combinatorial De Novo Design of Small-Molecule Binding Proteins
Connor V. Galvin, Amy B. Guo, Maple N. Chen, Isabella Alfonso, Dominic Grisingher, Simon Kretschmer, Divya Kranthi, Mark J. S. Kelly, Tanja Kortemme
This paper introduces a hybrid physics-deep learning framework for designing small-molecule binding proteins, achieving experimental success in binding affinity and structural accuracy.
bioRxiv · Apr 15, 2026 · PreprintBioengineering