AI and the World's Hard Problems · Life sciences · Nature Computational Science · 2026-10-15
Hybrid modeling for improved structure prediction of large protein complexes
The study aims to predict the structures of large protein complexes. The authors developed HDOCK-Multimer (HDM), an automated framework that combines ab initio docking with combinatorial assembly. Across three benchmarks, HDM was more accurate and robust than state-of-the-art assembly and deep learning-based methods for large protein assemblies.