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SaveInterface-aware molecular generative framework for protein-protein interaction modulators
Wang, Jianmin; Mao, Jiashun; Li, Chunyan; Xiang, Hongxin; Wang, Xun; Wang, Shuang; Wang, Zixu; Chen, Yangyang; Li, Yuquan; No, Kyoung Tai; Song, Tao; Zeng, Xiangxiang
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SaveExploring the Conformational Ensembles of Protein-Protein Complex with Transformer-Based Generative Model
Wang, Jianmin; Wang, Xun; Chu, Yanyi; Li, Chunyan; Li, Xue; Meng, Xiangyu; Fang, Yitian; No, Kyoung Tai; Mao, Jiashun; Zeng, Xiangxiang
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SaveDe novo molecular design with deep molecular generative models for PPI inhibitors
Wang, Jianmin; Chu, Yanyi; Mao, Jiashun; Jeon, Hyeon-Nae; Jin, Haiyan; Zeb, Amir; Jang, Yuil; Cho, Kwang-Hwi; Song, Tao; No, Kyoung Tai
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