A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization
Jinping Lei, Huihao Zhou(Sun Yat-sen University), Jingtian Su, Guo‐Bo Li(Second Military Medical University), Qianmu Yuan(Sun Yat-sen University), Zhen Wang(Yunnan Agricultural University), Hao Zhang(Luohe Medical College), Weifeng Huang(The Affiliated Yongchuan Hospital of Chongqing Medical University), Qirui Deng
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