HDOCK-Multimer Combines Docking and Combinatorial Assembly to Improve Large Protein Complex Structure Prediction
In brief
Shengyou Huang's team at Huazhong University of Science and Technology has proposed HDOCK-Multimer (HDM), which integrates molecular docking, combinatorial assembly and a genetic algorithm to improve structural prediction of large multichain protein complexes. Published in Nature Computational Science, the study shows HDM outperformed CombFold, MoLPC and AlphaFold-series methods overall across three benchmark sets: 35 large heteromeric complexes, 172 large protein complexes and 7 CASP15 targets.
Why it matters
HDOCK-Multimer integrates docking and combinatorial assembly into a genetic algorithm and outperforms CombFold, MoLPC and AlphaFold-series methods on three large-complex benchmarks.
