Learning the All-Atom Equilibrium Distribution of Biomolecular Interactions at Scale
Yusong Wang, Youjun Xu, Wentao Li, Haoyu S. Yu, Wenjuan Tan, Shaoning Li, Qiaojing Huang, Nanjun Chen, Xuan Wu, Qilong Wu, Kai Liu
AnewSampling is a generative model that accurately samples all-atom equilibrium distributions of biomolecular interactions, outperforming prior methods and enabling efficient exploration of conformational landscapes.
bioRxiv · Apr 29, 2026 · PreprintBioinformatics