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2504.21065
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A 3D pocket-aware and affinity-guided diffusion model for lead optimization
29 April 2025
Anjie Qiao
Junjie Xie
W. R. Huang
Hao Zhang
Jiahua Rao
Shuangjia Zheng
Yuedong Yang
Z. Wang
Guo-Bo Li
J. Lei
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"A 3D pocket-aware and affinity-guided diffusion model for lead optimization"
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