High-throughput and intelligent design of potential GRK2 inhibitor candidates using deep learning and mathematical programming methods

Yujing Zhao, Qilei Liu, Jian Du, Qingwei Meng, Liang Sun, Lei Zhang

Chinese Journal of Chemical Engineering . 2025, (8): 11 -22 . DOI: 10.1016/j.cjche.2025.02.024