Steering semi-flexible molecular diffusion model for structure-based drug design with reinforcement learning
利用强化学习控制半柔性分子扩散模型进行基于结构的药物设计
期刊:Science Advances
影响因子:12.5
doi:10.1126/sciadv.ady9955
Zhang, Xudong; Qu, Sanqing; Lu, Fan; Wang, Jianmin; Tian, Zhixin; Gu, Shangding; Zhang, Yanping; Knoll, Alois; Gao, Shaorong; Chen, Guang; Jiang, Changjun
