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收藏Comprehensive, Open-Source, and Automated Workflow for Multisite λ-Dynamics in Lead Optimization
Hu, Renling; Zhang, Jintu; Kang, Yu; Wang, Zhe; Pan, Peichen; Deng, Yafeng; Hsieh, Chang-Yu; Hou, Tingjun
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收藏Efficient and accurate large library ligand docking with KarmaDock
Zhang, Xujun; Zhang, Odin; Shen, Chao; Qu, Wanglin; Chen, Shicheng; Cao, Hanqun; Kang, Yu; Wang, Zhe; Wang, Ercheng; Zhang, Jintu; Deng, Yafeng; Liu, Furui; Wang, Tianyue; Du, Hongyan; Wang, Langcheng; Pan, Peichen; Chen, Guangyong; Hsieh, Chang-Yu; Hou, Tingjun
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收藏ResGen is a pocket-aware 3D molecular generation model based on parallel multiscale modelling
Zhang, Odin; Zhang, Jintu; Jin, Jieyu; Zhang, Xujun; Hu, Renling; Shen, Chao; Cao, Hanqun; Du, Hongyan; Kang, Yu; Deng, Yafeng; Liu, Furui; Chen, Guangyong; Hsieh, Chang-Yu; Hou, Tingjun
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收藏On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate
Chen, Haiyi; Guo, Yue; Ye, Shengqing; Zhang, Jintu; Zhang, Haotian; Liu, Na; Zhou, Rui; Hou, Tingjun; Xia, Hongguang; Kang, Yu; Duan, Mojie
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收藏SDEGen: learning to evolve molecular conformations from thermodynamic noise for conformation generation
Zhang, Haotian; Li, Shengming; Zhang, Jintu; Wang, Zhe; Wang, Jike; Jiang, Dejun; Bian, Zhiwen; Zhang, Yixue; Deng, Yafeng; Song, Jianfei; Kang, Yu; Hou, Tingjun
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收藏Discovery of Novel GR Ligands toward Druggable GR Antagonist Conformations Identified by MD Simulations and Markov State Model Analysis
Hu, Xueping; Pang, Jinping; Zhang, Jintu; Shen, Chao; Chai, Xin; Wang, Ercheng; Chen, Haiyi; Wang, Xuwen; Duan, Mojie; Fu, Weitao; Xu, Lei; Kang, Yu; Li, Dan; Xia, Hongguang; Hou, Tingjun
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