AlphaFold3 and RoseTTAFold All-Atom structures enable radiosensitizers discovery by targeting multiple DNA damage repair proteins
Junjie Tong, Xixi Wang, Miaoshan Lu, Tong Wang, Jingying Chen, Jingjing Chen, Yaohan Li, Cong Xie, Yan-Hui Fu, Changbin Brad Yu
The paper identifies radiosensitizers by docking natural products against AI-predicted and experimental DNA repair protein structures, finding compounds that effectively target tumor radioresistance.
bioRxiv · Mar 26, 2025 · PreprintCancer Biology