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。

Hu, Renling; Wu, Jialu; Su, Qun; Li, Shimeng; Li, Yang; Wang, Tianyue; Kang, Yu; Zhu, Tong; Hsieh, Chang-Yu; Hou, Tingjun

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

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

Integrated Volatile Metabolome and Transcriptome Analysis Provides Insights into Floral Aroma Biosynthesis in Waterlilies (Nymphaea L.)

整合挥发性代谢组和转录组分析揭示睡莲(Nymphaea L.)花香生物合成机制

Su, Qun; Wang, Fengshun; Zhao, Jiahui; Lu, Jianxun; Wang, Hongyan; La, Yanfei; Wan, Zhenglin; Lin, Yuling; Tian, Min; Wang, Lingyun; Lai, Zhongxiong

GATA2 deficiency exacerbates chronic liver injury via disrupting hepatocyte death-regeneration balance: Clinical, histopathological, and molecular evidence.

GATA2 缺乏通过破坏肝细胞死亡-再生平衡加剧慢性肝损伤:临床、组织病理学和分子证据。

Chen Yun-Fen, Li Su-Qun, Zhang Jing, Ma Wen-Ting, Zhou Ying, Rao Jian-Xu, Yi Yu, Cheng Qi-Jiao, Zhong Wei-Wei, Chen Huan, Chen Ying-Hua, Luo Ya-Wen, He Yi-Huai

High levels of P2RX5 expression predicts a poor prognosis and promotes tumor progression in endometrial cancer

P2RX5高表达预示子宫内膜癌预后不良并促进肿瘤进展。

Huang, Li-Yan; Su, Qun-Ying; Long, Qin-Qin; Tian, Feng-Qin; Zhu, Xiao-Ying; Long, Xi-Dai

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

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

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

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

Robust protein-ligand interaction modeling through integrating physical laws and geometric knowledge for absolute binding free energy calculation

通过整合物理定律和几何知识,构建稳健的蛋白质-配体相互作用模型,用于绝对结合自由能计算。

Su, Qun; Wang, Jike; Gou, Qiaolin; Hu, Renling; Jiang, Linlong; Zhang, Hui; Wang, Tianyue; Liu, Yifei; Shen, Chao; Kang, Yu; Hsieh, Chang-Yu; Hou, Tingjun

3DSMILES-GPT: 3D molecular pocket-based generation with token-only large language model

3DSMILES-GPT:基于标记的大型语言模型的三维分子口袋生成

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

Mixed lineage kinase domain-like protein in liver diseases: Cell-type-specific functions and dual roles

混合谱系激酶结构域样蛋白在肝脏疾病中的作用:细胞类型特异性功能和双重角色

Liang, Ming-Xing; Zhou, Ying; Li, Su-Qun; Xiang, Wan-Sheng; Pan, Zong-Qin; Chen, Ying-Hua; He, Yi-Huai