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A 3D Pocket-Aware and Affinity-Guided Diffusion Model for Guided Optimization

💡 原文英文，约100词，阅读约需1分钟。

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内容提要

本研究提出了Diffleop模型，针对深度学习三维生成模型在优化过程中未充分考虑蛋白-配体结合亲和力的问题。结果表明，Diffleop在多个指标上优于基线模型，尤其在结合亲和力方面表现突出。

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