From hotspot dependence to distributed robustness in resistance-aware lead optimization
Yuxuan Wang, B Y Xiao, Jingyi Kang, Huizi Cui, Yu Fu, Wen Li, Silvio E. Perea, Weiwei Han
The paper introduces ResistAgent, a framework for resistance-aware lead optimization that converts mutational liabilities into design objectives, improving robustness over average-affinity behavior.
bioRxiv · Jun 22, 2026 · PreprintBioinformatics