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浏览/检索结果: 共594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发表日期升序发表日期降序提交时间升序提交时间降序作者升序作者降序 Prediction of mechanical properties of cross-linked polymer interface by graph convolution network 期刊论文  OAI收割 ACTA MECHANICA SINICA, 2026, 卷号: 42, 期号: 3, 页码: 12 作者:  王新天洋;  Liao LJ(廖丽涓);  Huang CG(黄晨光);  Wu XQ(吴先前)   |  收藏  |  浏览/下载：19/0  |  提交时间：2025/08/18 Graph convolutional network  Molecular dynamic  Adhesive interface  Mechanical properties  Topology structure   Towards fatigue-resistant steels: Interfacial fatigue crack mechanisms in complex inclusions revealed by TEM and atomic simulations 期刊论文  OAI收割 MATERIALS & DESIGN, 2025, 卷号: 253, 页码: 9 作者:  Lyu, Ziyu;  Gu, Chao;  Liu WQ(刘文琦);  Bao, Yanping;  Lian, Junhe   |  收藏  |  浏览/下载：40/0  |  提交时间：2025/06/23 Interface structure  Fatigue  First-principal calculation  Molecular dynamics  Complex inclusion   Discovery of novel covalent stabilizers for p53 Y220C using structure-based drug discovery methods 期刊论文  OAI收割 MOLECULAR DIVERSITY, 2025, 页码: 14 作者:  Wen, Yiming;  Xu, Peijia;  Chen, Yijie;  Meng, Jingyi;  Zheng, Mingyue   |  收藏  |  浏览/下载：53/0  |  提交时间：2025/04/01 p53 Y220C  Covalent stabilizer  Virtual screening  Molecular dynamics  DNA binding  Structure-activity relationship  Cancer therapy   Investigation of the structure-activity relationship of resveratrol and its glycosylated and acylated derivatives in relation to their α-glucosidase inhibitory activities 期刊论文  OAI收割 FOOD CHEMISTRY, 2025, 卷号: 496 作者:  Lin, Changdong;  Luo, Juyuan;  Wang, Shuo;  Shen, Cheng;  Zhang, Shucan   |  收藏  |  浏览/下载：5/0  |  提交时间：2025/11/27 alpha-glucosidase  resveratrol derivatives  structure-activity relationship  inhibition kinetics  Multispectral spectroscopy  molecular docking  molecular dynamics simulation   Effect of 7-O-glycosyl acylation of flavonoids from barley seedlings on α-glucosidase inhibition 期刊论文  OAI收割 FOOD CHEMISTRY, 2025, 卷号: 488 作者:  Chen, Tao;  Lin, Changdong;  Lu, Weihang;  Wang, Shuo;  Shen, Cheng   |  收藏  |  浏览/下载：6/0  |  提交时间：2025/11/27 Flavonoids  Acylation  & Acy  -Glucosidase  Structure-activity relationship  Inhibition mechanisms  Multispectral study  Molecular docking   Microstructural evolution and mechanical behaviors of rock salt in energy storage: A molecular dynamics approach 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES, 2024, 卷号: 182, 页码: 15 作者:  Zheng, Zhuyan;  Wang, Guibin;  Hu, Xinyi;  Niu, Chengcheng;  Ma, Hongling   |  收藏  |  浏览/下载：29/0  |  提交时间：2025/06/27 Rock salt  Dislocation  Molecular dynamics  Lattice structure  Intergranular cracking  Grain refinement   Characterization of the Unarmored Dinoflagellate Karlodinium decipiens (Dinophyceae) from Jiaozhou Bay, China 期刊论文  OAI收割 DIVERSITY-BASEL, 2024, 卷号: 16, 期号: 8, 页码: 16 作者:  Yao, Jialin;  Fan, Yingyi;  Chen, Qiantong;  Chen, Xinxin;  Deng, Yunyan   |  收藏  |  浏览/下载：40/0  |  提交时间：2024/12/20 Karlodinium decipiens  apical structure complex  molecular phylogeny  morphology  amphiesmal vesicle  toxicity   Design, synthesis and structure-activity relationship of 1,8-naphthalimide derivatives as highly potent hCYP1B1 inhibitors 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 107, 页码: 8 作者:  Wei, Yueyue;  Xiong, Yuan;  Liao, Qingyi;  Yang, Ya;  Tian, Tian   |  收藏  |  浏览/下载：42/0  |  提交时间：2024/07/12 8-naphthalimide  Structure -activity relationships (SAR)  Paclitaxel (PTX) resistance  Molecular docking   Evolution of aromatic structure and nanopores in shale kerogen by using in-situ HRTEM and in-situ FT-IR experiment 期刊论文  OAI收割 FUEL, 2024, 卷号: 359, 页码: 13 作者:  Su, Chi;  Liu, Yu;  Yang, Yueheng;  Gao, Tengwei;  Qi, Tianyang   |  收藏  |  浏览/下载：164/0  |  提交时间：2024/01/22 In-situ HRTEM  Kerogen  Molecular structure  Aromatic clusters  Nanopores   Platanosides from Platanus x acerifolia: New molecules, SAR, and target validation of a strong lead for drug-resistant bacterial infections and the associated sepsis 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2024, 卷号: 143, 页码: 9 作者:  Wu, Xi-Ying;  Zhao, Ze-Yu;  Osman, Ezzat E. A.;  Wang, Xiao-Juan;  Choo, Yeun-Mun   |  收藏  |  浏览/下载：89/0  |  提交时间：2024/03/06 Platanus x acerifolia  Platanosides  Molecular ion networking (MoIN)  Antibacterial  Staphylococcus aureus  Enterococcus faecium  Structure -activity relationship (SAR)  Molecular docking  Target validation