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Jianhuai Liang

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Jul 2026

Fragment-based diffusion modeling and molecular dynamics simulation validation for the discovery of PD-L1 small-molecule inhibitors.

Fragment-based diffusion modeling is an efficient and interpretable strategy for the discovery of computationally prioritized PD-L1 small-molecule candidate inhibitors and offers a promising framework for tackling challenging targets in cancer immunotherapy.

Jun Liu, Yuxing Yi, Xiaoyan Wu et al. · 0 citations