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浏览/检索结果: 共108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   Predicting Food-Drug Interactions between Piperine and CYP3A4 Substrate Drugs Using PBPK Modeling 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2024, 卷号: 25, 期号: 20, 页码: 13 作者:  Lin, Feifei;  Hu, Yingchun;  Zhang, Yifan;  Zhao, Lijuan;  Zhong, Dafang   |  收藏  |  浏览/下载：3/0  |  提交时间：2024/11/26 PBPK modeling  piperine  food-drug interaction   Synergistic effects and competitive relationships between DOC and DOX as acting on DNA molecules: Studied with confocal Raman spectroscopy and molecular docking technology 期刊论文  OAI收割 HELIYON, 2024, 卷号: 10, 期号: 9 作者:  Zhou, Suli;  Feng, Xiaoqiang;  Bai, Jintao;  Sun, Dan;  Yao, Baoli   |  收藏  |  浏览/下载：9/0  |  提交时间：2024/09/06 Laser confocal Raman spectroscopy  Docetaxel  Drug-DNA interaction  Synergistic and competitive effects  Molecular docking   Editorial: Pharmacokinetics of herbal medicines and herb-drug interactions 期刊论文  OAI收割 FRONTIERS IN PHARMACOLOGY, 2022, 卷号: 13, 页码: 3 作者:  Jia, Wei-Wei;  Lu, Chuang;  Lin, Ge;  Ge, Guang-Bo   |  收藏  |  浏览/下载：25/0  |  提交时间：2023/04/10 herbal medicine  pharmacokinetics  drug combination  drug interaction  molecular mechanism  drug transporter  drug-metabolizing enzyme   Elasticity regulates nanomaterial transport as delivery vehicles: Design, characterization, mechanisms and state of the art 期刊论文  OAI收割 BIOMATERIALS, 2022, 卷号: 291, 页码: 15 作者:  Nie, Di;  Liu, Chang;  Yu, Miaorong;  Jiang, Xiaohe;  Wang, Ning   |  收藏  |  浏览/下载：26/0  |  提交时间：2023/04/10 Nanomaterial  Elasticity  Nano-bio interaction  Transport  Drug delivery   Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy 期刊论文  OAI收割 Magnetic Resonance Letters, 2022, 卷号: 2, 期号: 2, 页码: 107-118 作者:  Wang, Lei;  Gao, Jia;  Ma, Rongsheng;  Liu, Yaqian;  Liu, Mingqing   |  收藏  |  浏览/下载：22/0  |  提交时间：2024/03/14 Fragment-based lead/drug discovery  NMR spectroscopy  Protein-ligand interaction  Complex structure  Hit-to-lead evolution   Simultaneous determination of almonertinib and its active metabolite HAS-719 in human plasma by LC-MS/MS: Evaluation of pharmacokinetic interactions 期刊论文  OAI收割 JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 2022, 卷号: 1197, 页码: 7 作者:  Liu, Lu;  Yang, Le;  Li, Wei;  Chen, Xiaoyan   |  收藏  |  浏览/下载：32/0  |  提交时间：2022/08/16 Almonertinib  LC -MS  MS  Active metabolite (HAS-719)  Pharmacokinetic drug-drug interaction   Site-specific protein modification by 3-n-butylphthalide in primary hepatocytes: Covalent protein adducts diminished by glutathione and N-acetylcysteine 期刊论文  OAI收割 LIFE SCIENCES, 2021, 卷号: 287, 页码: 14 作者:  Xue, Yaru;  Ren, Xuelian;  Zhu, Zhengdan;  Lei, Peng;  Liu, Mengling   |  收藏  |  浏览/下载：62/0  |  提交时间：2022/01/18 3-n-butylphthalide  Hepatotoxicity  Oxidative stresses  Covalent protein modification  Drug-drug interaction   Picture-word order compound protein interaction: Predicting compound-protein interaction using structural images of compounds 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021, 页码: 10 作者:  Qian, Ying;  Li, Xuelian;  Wu, Jian;  Zhou, Aimin;  Xu, Zhijian   |  收藏  |  浏览/下载：85/0  |  提交时间：2022/01/04 compound-protein interaction  convolutional neural network (CNN)  drug-drug interaction  image processing  structural images   Itraconazole and rifampicin, as CYP3A modulators but not P-gp modulators, affect the pharmacokinetics of almonertinib and active metabolite HAS-719 in healthy volunteers 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2021, 页码: 9 作者:  Liu, Lu;  Li, Wei;  Yang, Le;  Guo, Zi-tao   |  收藏  |  浏览/下载：67/0  |  提交时间：2021/08/17 almonertinib  itraconazole  rifampicin  drug metabolism  drug interaction  CYP3A  P-gp  pharmacokinetics