日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

LamNet: an alchemical-path-aware graph neural network to accelerate binding free energy calculations for drug discovery and beyond

LamNet：一种炼金术路径感知的图神经网络，用于加速药物发现及其他领域的结合自由能计算。

期刊:National Science Review
影响因子:17.1
doi:10.1093/nsr/nwaf559
Hu, Renling; Wu, Jialu; Su, Qun; Li, Shimeng; Li, Yang; Wang, Tianyue; Kang, Yu; Zhu, Tong; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2026
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A scalable and quantum-accurate foundation model for biomolecular force fields via linearly tensorized quadrangle attention

基于线性张量化四边形注意力机制的可扩展且量子精确的生物分子力场基础模型

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-026-70377-4
Su, Qun; Zhu, Kai; Gou, Qiaolin; Zhang, Jintu; Hu, Renling; Li, Yurong; Wang, Yongze; Zhang, Hui; You, Ziyi; Jiang, Linlong; Kang, Yu; Wang, Jike; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2026
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Harnessing deep statistical potential for biophysical scoring of protein-peptide interactions

利用深层的统计学潜力对蛋白质-肽相互作用进行生物物理评分

期刊:Acta Pharmacologica Sinica
影响因子:8.4
doi:10.1038/s41401-025-01659-8
Jiang, De-Jun; Zhao, Hui-Feng; Du, Hong-Yan; Kang, Yu; Pan, Pei-Chen; Wu, Zhen-Xing; Zeng, Yun-Dian; Zhang, O-Din; Wang, Xiao-Rui; Wang, Ji-Ke; Huang, Yuan-Sheng; Zhao, Yi-Hao; Hsieh, Chang-Yu; Cao, Dong-Sheng; Sun, Hui-Yong; Hou, Ting-Jun
发表日期：2026
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Unlocking the application potential of AlphaFold3-like approaches in virtual screening

释放 AlphaFold3 类方法在虚拟筛选中的应用潜力

期刊:Chemical Science
影响因子:7.4
doi:10.1039/d5sc06481c
Shen, Chao; Zhang, Xujun; Gu, Shukai; Zhang, Odin; Wang, Qinghan; Du, Gang; Zhao, Yihao; Jiang, Linlong; Pan, Peichen; Kang, Yu; Zhao, Qingwei; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2026
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Multi-channel learning for integrating structural hierarchies into context-dependent molecular representation

用于将结构层级整合到上下文相关的分子表征中的多通道学习

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-024-55082-4
Wan, Yue; Wu, Jialu; Hou, Tingjun; Hsieh, Chang-Yu; Jia, Xiaowei
发表日期：2025
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Token-Mol 1.0: tokenized drug design with large language models

Token-Mol 1.0：基于大型语言模型的标记化药物设计

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-025-59628-y
Wang, Jike; Qin, Rui; Wang, Mingyang; Fang, Meijing; Zhang, Yangyang; Zhu, Yuchen; Su, Qun; Gou, Qiaolin; Shen, Chao; Zhang, Odin; Wu, Zhenxing; Jiang, Dejun; Zhang, Xujun; Zhao, Huifeng; Ge, Jingxuan; Wu, Zhourui; Kang, Yu; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2025
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RSGPT: a generative transformer model for retrosynthesis planning pre-trained on ten billion datapoints

RSGPT：一种基于100亿个数据点预训练的逆综合规划生成式Transformer模型

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-025-62308-6
Deng, Yafeng; Zhao, Xinda; Sun, Hanyu; Chen, Yu; Wang, Xiaorui; Xue, Xi; Li, Liangning; Song, Jianfei; Hsieh, Chang-Yu; Hou, Tingjun; Pan, Xiandao; Alomar, Taghrid Saad; Ji, Xiangyang; Wang, Xiaojian
发表日期：2025
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mRNABERT: advancing mRNA sequence design with a universal language model and comprehensive dataset

mRNABERT：利用通用语言模型和综合数据集推进mRNA序列设计

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-025-65340-8
Xiong, Ying; Wang, Aowen; Kang, Yu; Shen, Chao; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2025
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A virtual platform for automated hybrid organic-enzymatic synthesis planning

用于自动化混合有机-酶法合成规划的虚拟平台

期刊:Nature Communications
影响因子:15.7
doi:10.1038/s41467-025-65898-3
Wang, Xiaorui; Yin, Xiaodan; Zhang, Xujun; Zhao, Huifeng; Gu, Shukai; Wu, Zhenxing; Zhang, Odin; Qian, Wenjia; Huang, Yuansheng; Li, Yuquan; Jiang, Dejun; Wang, Mingyang; Liu, Huanxiang; Yao, Xiaojun; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2025
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A Multi-Objective Molecular Generation Method Based on Pareto Algorithm and Monte Carlo Tree Search

基于帕累托算法和蒙特卡罗树搜索的多目标分子生成方法

期刊:Advanced Science
影响因子:14.1
doi:10.1002/advs.202410640
Liu, Yifei; Zhu, Yiheng; Wang, Jike; Hu, Renling; Shen, Chao; Qu, Wanglin; Wang, Gaoang; Su, Qun; Zhu, Yuchen; Kang, Yu; Pan, Peichen; Hsieh, Chang-Yu; Hou, Tingjun
发表日期：2025
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