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

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

Biology-driven insights into the power of single-cell foundation models

生物学驱动的对单细胞基础模型力量的深刻见解

Wu, Jialu; Ye, Qing; Wang, Yilin; Hu, Renling; Zhu, Yiheng; Yin, Mingze; Wang, Tianyue; Wang, Jike; Hsieh, Chang-Yu; Hou, Tingjun

Improving the predictive performance of binding affinities and poses for protein-cyclic peptide complexes through fine-tuned MM/PBSA(GBSA)-based methods

通过精细调整的基于MM/PBSA(GBSA)的方法提高蛋白质-环肽复合物结合亲和力和结合姿势的预测性能

Zhao, Huifeng; Huang, Jianxiang; Weng, Gaoqi; Jiang, Dejun; Hu, Renling; Kang, Yu; Hou, Tingjun

Incidence and determinants of achieving HBsAg <100 IU/mL in HBeAg-negative CHB patients with nucleos(t)ide analogue treatment

核苷(酸)类似物治疗中HBeAg阴性慢性乙型肝炎患者达到HBsAg<100 IU/mL的发生率和决定因素

Wang, Jian; Fan, Tao; Zhang, Zhiyi; Zhu, Li; Zhang, Shaoqiu; Xiong, Ye; Shan, Chun; Jiang, Chao; Yin, Shengxia; Tong, Xin; Yao, Renling; Xia, Juan; Yan, Xiaomin; Shi, Yu; Chen, Yuxin; Liu, Xingxiang; Wang, Huali; Zhang, Haixia; Zhu, Chuanwu; Zhang, Qun; Wu, Chao; Huang, Rui

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

Potential Metabolic Markers in the Tongue Coating of Chronic Gastritis Patients for Distinguishing Between Cold Dampness Pattern and Damp Heat Pattern in Traditional Chinese Medicine Diagnosis

慢性胃炎患者舌苔代谢标志物在中医诊断中鉴别寒湿证和湿热证的意义

Yuan, Shaojie; Zhang, Renling; Zhu, Zhujing; Zhou, Xuan; Zhang, Hairun; Li, Xinwei; Hao, Yiming

Comprehensive analysis of chronic hepatitis B concurrent with non-alcoholic fatty liver disease: a proteomics report based on clinical liver samples

对合并非酒精性脂肪性肝病的慢性乙型肝炎进行全面分析:基于临床肝脏样本的蛋白质组学报告

Tong, Xin; Wan, Yawen; Yin, Shengxia; Shao, Li; Yao, Renling; Ma, Xiaoyan; Rui, Fajuan; Shi, Junping; Wu, Chao; Li, Jie