机构

• 上海药物研究所 [4]
• 数学与系统科学研究院 [2]
• 西北高原生物研究所 [1]
• 新疆理化技术研究所 [1]
• 中国科学院大学 [1]
• 自动化研究所 [1]
• 更多

采集方式

• OAI收割 [11]
• iSwitch采集 [1]

内容类型

• 期刊论文 [12]

发表日期

• 2024 [1]
• 2020 [2]
• 2017 [2]
• 2016 [2]
• 2015 [1]
• 2014 [1]
• 更多

学科主题

• Biochemist... [1]
• Biophysics [1]

筛选

浏览/检索结果: 共12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：9/0  |  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   Identification of potential drug-targets by combining evolutionary information extracted from frequency profiles and molecular topological structures 期刊论文  OAI收割 CHEMICAL BIOLOGY & DRUG DESIGN, 2020, 卷号: 96, 期号: 2, 页码: 758-767 作者:  Wang, L (Wang, Lei)[ 1,2 ];  You, ZH (You, Zhu-Hong)[ 2 ];  Li, LP (Li, Li-Ping)[ 2 ];  Yan, X (Yan, Xin)[ 3 ];  Zhang, W (Zhang, Wei)[ 1 ]   |  收藏  |  浏览/下载：25/0  |  提交时间：2020/11/04 drug-target interaction  rotation forest  two-dimensional principal component analysis   Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms 期刊论文  OAI收割 LETTERS IN DRUG DESIGN & DISCOVERY, 2020, 卷号: 17, 期号: 5, 页码: 556-562 作者:  Zhao, Yuhao;  Pang, Xiaokun;  Nepal, Akriti;  Jiang, Xincan;  Xu, Xiaoxin   |  收藏  |  浏览/下载：31/0  |  提交时间：2020/06/22 Drug target  drug-protein interaction  in silico prediction  osteoimmunological  PASS prediction  CAPE   Analysis and prediction of drug-drug interaction by minimum redundancy maximum relevance and incremental feature selection 期刊论文  OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2017, 卷号: 35, 期号: 2, 页码: 312-329 作者:  Liu, Lili;  Chen, Lei;  Zhang, Yu-Hang;  Wei, Lai;  Cheng, Shiwen   |  收藏  |  浏览/下载：25/0  |  提交时间：2019/01/08 Drug-drug interaction  drug-target interaction  chemical interaction  protein interaction  minimum redundancy maximum relevance  incremental feature selection   Analysis and prediction of drug-drug interaction by minimum redundancy maximum relevance and incremental feature selection 期刊论文  OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2017, 卷号: 35, 期号: 2, 页码: 312-329 作者:  Liu, Lili;  Chen, Lei;  Wei, Lai;  Cheng, Shiwen;  Zhang, Yu-Hang   |  收藏  |  浏览/下载：23/0  |  提交时间：2020/12/09 Drug-drug interaction  drug-target interaction  chemical interaction  protein interaction  minimum redundancy maximum relevance  incremental feature selection   Pred-binding: large-scale protein-ligand binding affinity prediction 期刊论文  iSwitch采集 Journal of enzyme inhibition and medicinal chemistry, 2016, 卷号: 31, 期号: 6, 页码: 1443-1450 作者:  Shar, Piar Ali;  Tao, Weiyang;  Gao, Shuo;  Huang, Chao;  Li, Bohui 收藏  |  浏览/下载：66/0  |  提交时间：2019/05/09 Binding affinity prediction  Drug target interaction  Random forest  Support vector machine   Analysis of a Drug Target-Based Classification System Using Molecular Descriptors 期刊论文  OAI收割 COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2016, 卷号: 19, 期号: 2, 页码: 129-135 作者:  Lu, Jing;  Zhang, Pin;  Bi, Yi;  Luo, Xiaomin   |  收藏  |  浏览/下载：19/0  |  提交时间：2019/01/08 Drug-target interaction  molecular descriptors  maximum relevance minimum redundancy  incremental feature selection  nearest neighbor algorithm   Nanoscale monitoring of drug actions on cell membrane using atomic force microscopy 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2015, 卷号: 36, 期号: 7, 页码: 769-782 作者:  Li M(李密);  Liu LQ(刘连庆);  Wang YC(王越超)   |  收藏  |  浏览/下载：11/0  |  提交时间：2015/08/24 Atomic Force Microscopy  Single-cell Technique  Nanometer Scale  Drug-target Interaction  Cell Mechanics  Cell Elasticity   Prediction of drug target groups based on chemical-chemical similarities and chemical-chemical/protein connections 期刊论文  OAI收割 BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, 2014, 卷号: 1844, 期号: 1, 页码: 207-213 作者:  Chen, Lei;  Lu, Jing;  Luo, Xiaomin;  Feng, Kai-Yan   |  收藏  |  浏览/下载：27/0  |  提交时间：2019/01/08 Drug-target interaction network  Chemical-chemical similarity  Chemical-chemical connection  Chemical-protein connection  Jackknife test   Kernel-based data fusion improves the drug-protein interaction prediction 期刊论文  OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2011, 卷号: 35, 期号: 6, 页码: 353-362 作者:  Wang, Yong-Cui;  Zhang, Chun-Hua;  Deng, Nai-Yang;  Wang, Yong   |  收藏  |  浏览/下载：28/0  |  提交时间：2018/07/30 Drug-target interaction  Chemical space  Pharmacological space  Therapeutic space  Genomic space  Kernel function  Support vector machine