未登录MetalloDock: Decoding Metalloprotein-Ligand Interactions via Physics-Aware Deep Learning for Metalloprotein Drug Discovery金属坞: 通过物理感知的深度学习解码金属蛋白-配体相互作用,用于金属蛋白药物发现
Zhang, Hui; Zhang, Xujun; Su, Qun; Zheng, Yangyang; Jiang, Linlong; Zhu, Kai; Gou, Qiaolin; Zhang, Odin; Li, Shi; Peng, Bo; Ni, Shaokai; Du, Yushen; Tang, Jiayi; Kang, Yu; Hsieh, Chang-Yu; Li, Dan; Chen, Wenteng; Hou, Tingjun; Pan, Peichen
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收藏HawkDock version 2: an updated web server to predict and analyze the structures of protein-protein complexesHawkDock版本2:一个用于预测和分析蛋白质-蛋白质复合物结构的更新版网络服务器
Zhang, Xujun; Jiang, Linlong; Weng, Gaoqi; Shen, Chao; Zhang, Odin; Liu, Mingquan; Zhang, Chen; Gu, Shukai; Wang, Jike; Wang, Xiaorui; Du, Hongyan; Zhang, Hui; Zhang, Ke; Wang, Ercheng
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收藏Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein包裹在蛋白袋中的深度铅优化及其在设计靶向LTK蛋白的有效选择性配体中的应用
Chen, Shicheng; Zhang, Odin; Jiang, Chenran; Zhao, Huifeng; Zhang, Xujun; Chen, Mengting; Liu, Yun; Su, Qun; Wu, Zhenxing; Wang, Xinyue; Qu, Wanglin; Ye, Yuanyi; Chai, Xin; Wang, Ning; Wang, Tianyue; An, Yuan; Wu, Guanlin; Chen, Jiean; Xie, Wei; Lin, Haitao; Li, Dan; Huang, Yong; Kang, Yu
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收藏FragGen: towards 3D geometry reliable fragment-based molecular generation (vol 15, pg 19452, 2024)
Zhang, Odin; Huang, Yufei; Chen, Shicheng; Yu, Mengyao; Zhang, Xujun; Lin, Haitao; Zeng, Yundian; Wang, Mingyang; Wu, Zhenxing; Zhao, Huifeng; Zhang, Zaixi; Hua, Chenqing; Kang, Yu; Cui, Sunliang; Pan, Peichen; Hsieh, Chang-Yu; Hou, Tingjun
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收藏DiffBP: generative diffusion of 3D molecules for target protein binding
Lin, Haitao; Huang, Yufei; Zhang, Odin; Ma, Siqi; Liu, Meng; Li, Xuanjing; Wu, Lirong; Wang, Jishui; Hou, Tingjun; Li, Stan Z.
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收藏3DSMILES-GPT: 3D molecular pocket-based generation with token-only large language model3DSMILES-GPT: 基于分子袋的3D生成,仅带令牌的大型语言模型
Wang, Jike; Luo, Hao; Qin, Rui; Wang, Mingyang; Wan, Xiaozhe; Fang, Meijing; Zhang, Odin; Gou, Qiaolin; Su, Qun; Shen, Chao; You, Ziyi; Liu, Liwei; Hsieh, Chang-Yu; Hou, Tingjun; Kang, Yu
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收藏Durian: A Comprehensive Benchmark for Structure-Based 3D Molecular Generation
Nie, Dou; Zhao, Huifeng; Zhang, Odin; Weng, Gaoqi; Zhang, Hui; Jin, Jieyu; Lin, Haitao; Huang, Yufei; Liu, Liwei; Li, Dan; Hou, Tingjun; Kang, Yu
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收藏ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learning
Wang, Mingyang; Li, Shuai; Wang, Jike; Zhang, Odin; Du, Hongyan; Jiang, Dejun; Wu, Zhenxing; Deng, Yafeng; Kang, Yu; Pan, Peichen; Li, Dan; Wang, Xiaorui; Yao, Xiaojun; Hou, Tingjun; Hsieh, Chang-Yu
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收藏CovalentInDB 2.0: an updated comprehensive database for structure-based and ligand-based covalent inhibitor design and screeningCovalentInDB 2.0: 基于结构和基于配体的共价抑制剂设计和筛选的更新综合数据库
Du, Hongyan; Zhang, Xujun; Wu, Zhenxing; Zhang, Odin; Gu, Shukai; Wang, Mingyang; Zhu, Feng; Li, Dan; Hou, Tingjun; Pan, Peichen
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收藏Leveraging language model for advanced multiproperty molecular optimization via prompt engineering通过即时工程利用语言模型进行高级多属性分子优化
Wu, Zhenxing; Zhang, Odin; Wang, Xiaorui; Fu, Li; Zhao, Huifeng; Wang, Jike; Du, Hongyan; Jiang, Dejun; Deng, Yafeng; Cao, Dongsheng; Hsieh, Chang-Yu; Hou, Tingjun
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