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

Enhanced Sampling in the Age of Machine Learning: Algorithms and Applications

机器学习时代的增强采样:算法与应用

Zhu, Kai; Trizio, Enrico; Zhang, Jintu; Hu, Renling; Jiang, Linlong; Hou, Tingjun; Bonati, Luigi

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

Neutrophil-microglia interaction drives motor dysfunction in a neuromyelitis optica model induced by subarachnoid AQP4-IgG.

中性粒细胞-小胶质细胞相互作用导致蛛网膜下腔 AQP4-IgG 诱导的视神经脊髓炎模型出现运动功能障碍。

Qi Fangfang, Lennon Vanda A, Zhao Shunyi, Guo Yong, Ding Husheng, Liu Caiyun, Bartley Whitney M, Chen Tingjun, Lucchinetti Claudia F, Wu Long-Jun

Macrocycle-DB: a comprehensive database for macrocycle-based drug discovery

Macrocycle-DB:一个用于大环化合物药物发现的综合数据库

Jiang, Minchuan; Liu, Tianyue; Hussain, Muzammal; Luo, Yixin; Zheng, Rui; Hou, Tingjun; Lu, Xiaoyun; Zhou, Yang

Disaggregated machine learning via in-physics computing at radio frequency

通过射频物理计算实现分解式机器学习

Gao, Zhihui; Vadlamani, Sri Krishna; Sulimany, Kfir; Englund, Dirk; Chen, Tingjun

Immunomodulatory-osteogenic dual-functional nanofibers augment screw anchorage in osteoporotic bone

免疫调节-成骨双功能纳米纤维可增强骨质疏松骨中螺钉的锚固力

Jiang, Wei; Han, Zeyu; Hou, Fushan; Li, Dong; Wang, Anquan; Shi, Yi; Bao, Pingping; Hua, Xingyi; Wu, Liang; Ye, Tingjun; Shen, Cailiang

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

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

Multimodal deep learning for inflammatory bowel disease: a new frontier in cellular and molecular biomarker discovery to clinical translation

多模态深度学习在炎症性肠病中的应用:细胞和分子生物标志物发现到临床转化的新前沿

Li, Peihong; Guo, Siqing; Zhang, Yikun; Hu, Hongyi; Cheng, TingJun; Xu, Bo; Zeng, Kexin; Huang, Tianjiao; Dong, Zhi; BenHuo; Lin, Jiang; Wen, Hongzhu; Sun, Boyun

Committors without Descriptors

没有描述符的提交者

Kang, Peilin; Zhang, Jintu; Trizio, Enrico; Hou, TingJun; Parrinello, Michele