Computational nanobody design using graph neural networks and Metropolis Monte Carlo sampling
Lei Wang, Xiaoming He, Xinzhou Qian, Gaoxing Guo, Qiang Huang
This paper develops a computational method using graph neural networks and Metropolis Monte Carlo sampling to design high-affinity nanobodies, achieving a Pearson correlation of 0.62 on benchmark.
Briefings in Bioinformatics · Mar 1, 2026Peer-reviewedBioinformatics