机构

• 上海药物研究所 [59]
• 大连化学物理研究所 [6]
• 沈阳自动化研究所 [5]
• 计算技术研究所 [3]
• 化学研究所 [3]
• 武汉病毒研究所 [3]
• 更多

采集方式

• OAI收割 [89]
• iSwitch采集 [7]

内容类型

• 期刊论文 [95]
• 会议论文 [1]

发表日期

• 2024 [4]
• 2022 [5]
• 2021 [2]
• 2020 [8]
• 2019 [9]
• 2018 [2]
• 更多

学科主题

• Chemistry [4]
• Pharmacolo... [4]
• Biochemist... [2]
• Biotechnol... [1]
• Cell Biolo... [1]
• Environmen... [1]
• 更多

筛选

浏览/检索结果: 共96条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions From 3D Structures 期刊论文  OAI收割 IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE, 2024, 卷号: 46, 期号: 12, 页码: 8191-8208 作者:  Yang, Ziduo;  Zhong, Weihe;  Lv, Qiujie;  Dong, Tiejun;  Chen, Guanxing   |  收藏  |  浏览/下载：7/0  |  提交时间：2025/01/14 Proteins  Programmable logic arrays  Three-dimensional displays  Predictive models  Graph neural networks  Data models  Convolution  Protein-ligand binding affinity  graph neural networks  inductive bias  drug-target interaction  structure-based virtual screening   Synchrotron Radiation: A Key Tool for Drug Discovery 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10 作者:  Li, Fengcheng;  Liu, Runze;  Li, Wenjun;  Xie, Mingyuan;  Qin, Song   |  收藏  |  浏览/下载：5/0  |  提交时间：2024/12/06 Synchrotron radiation  Drug discovery  Protein crystals  Structure determination  Ligand screening   Synchrotron Radiation: A Key Tool for Drug Discovery 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 114, 页码: 10 作者:  Li, Fengcheng;  Liu, Runze;  Li, Wenjun;  Xie, Mingyuan;  Qin, Song   |  收藏  |  浏览/下载：5/0  |  提交时间：2024/12/06 Synchrotron radiation  Drug discovery  Protein crystals  Structure determination  Ligand screening   Exploring the mechanism of contact-dependent cell-cell communication on chemosensitivity based on single-cell high-throughput drug screening platform 期刊论文  OAI收割 TALANTA, 2024, 卷号: 273, 页码: 8 作者:  Jiang, Yue;  Ren, Xuelian;  Liu, Guobin;  Chen, Shulei;  Hao, Ming   |  收藏  |  浏览/下载：21/0  |  提交时间：2024/05/31 Microfluidic chip  High-throughput drug screening  Quantitative proteomics  Contact-dependent cell-cell communication  Tumour single cells   MEDIATE-Molecular DockIng at homE: Turning collaborative simulations into therapeutic solutions 期刊论文  OAI收割 EXPERT OPINION ON DRUG DISCOVERY, 2023, 页码: 13 作者:  Vistoli, Giulio;  Manelfi, Candida;  Talarico, Carmine;  Fava, Anna;  Warshel, Arieh   |  收藏  |  浏览/下载：13/0  |  提交时间：2023/10/17 Collaborative computing  virtual screening  docking simulations  drug repurposing  SARS-CoV-2  artificial intelligence   Curcumin nanoparticles combined with 3D printed bionic tumor models for breast cancer treatment 期刊论文  OAI收割 Biofabrication, 2022, 卷号: 15, 期号: 1 作者:  Su,Ya;  Hu,Xueyan;  Kang,Yue;  Zhang,Cheng;  Cheng,Yuen Yee   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/05/19 Chinese medicine nanoparticles  3D cell model  tumor treatment  drug screening   Deffini: A family-specific deep neural network model for structure-based virtual screening 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2022, 卷号: 151, 页码: 8 作者:  Zhou, Dixin;  Liu, Fei;  Zheng, Yiwen;  Hu, Liangjian;  Huang, Tao   |  收藏  |  浏览/下载：18/0  |  提交时间：2023/04/10 Virtual screening  Protein family -specific model  Structure -based  Convolutional neural network  Drug discovery   DeepBindBC: A practical deep learning method for identifying native-like protein-ligand complexes in virtual screening 期刊论文  OAI收割 METHODS, 2022, 卷号: 205, 页码: 247-262 作者:  Zhang, Haiping;  Zhang, Tingting;  Saravanan, Konda Mani;  Liao, Linbu;  Wu, Hao   |  收藏  |  浏览/下载：16/0  |  提交时间：2023/07/12 Native like protein-ligand  Drug virtual screening  ResNet  Deep learning  Human pancreatic alpha amylase inhibitor   Validation of Deep Learning-Based DFCNN in Extremely Large-Scale Virtual Screening and Application in Trypsin I Protease Inhibitor Discovery 期刊论文  OAI收割 FRONTIERS IN MOLECULAR BIOSCIENCES, 2022, 卷号: 9, 页码: 15 作者:  Zhang, Haiping;  Lin, Xiao;  Wei, Yanjie;  Zhang, Huiling;  Liao, Linbu   |  收藏  |  浏览/下载：21/0  |  提交时间：2022/12/07 extremely large-scale virtual screening  deep learning  DFCNN  Trypsin I Protease  de novo drug screening   Engineering Biological Tissues from the Bottom-Up: Recent Advances and Future Prospects 期刊论文  OAI收割 Micromachines, 2022, 卷号: 13, 期号: 1, 页码: 1-40 作者:  Wang, Xiaowen;  Wang, Zhen;  Zhai, Wenya;  Wang, Fengyun;  Ge ZX(葛治星)   |  收藏  |  浏览/下载：38/0  |  提交时间：2022/02/04 Bottom-up tissue engineering  Drug screening  Micro-fabrication  Modular assembly