Accelerated rational PROTAC design via deep learning and molecular simulations

Shuangjia Zheng, Youhai Tan, Zhenyu Wang, Chengtao Li, Zhiqing Zhang, Xu Sang, Hongming Chen, Yuedong Yang. Accelerated rational PROTAC design via deep learning and molecular simulations. Nat. Mach. Intell., 4(9):739-748, September 2022. [doi]

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