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浏览/检索结果: 共234条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择作者升序作者降序发表日期升序发表日期降序题名升序题名降序提交时间升序提交时间降序 Network Pharmacology and Molecular Dynamics Simulations Reveal the Mechanism of Total Alkaloid Components in Anisodus Tanguticus (Maxim.) Pascher in Treating Inflammation and Pain 期刊论文  OAI收割 CHEMISTRY & BIODIVERSITY, 2025, 卷号: 22, 期号: 1 作者:  Tan, Nixia;  Wang, Yue;  Ren, Lichengcheng;  Tie, Fangfang;  Hu, Na   |  收藏  |  浏览/下载：10/0  |  提交时间：2025/11/27 Anisodus tanguticus (Maxim.) Pascher  Network pharmacology  Molecular dynamics simulations  Anti-inflammatory and analgesic effects  Mechanism of action   Molecular dynamics simulations of the shear and tensile mechanical properties of rare-earth metal erbium based on deep-learning potential 期刊论文  OAI收割 MATERIALS TODAY COMMUNICATIONS, 2024, 卷号: 41, 页码: 11 作者:  Xue, Hong-Tao;  Chang, Zhen;  Li, Juan;  Yang, Yan-Hong;  Ren, Jun-Qiang   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 Deep-learning potential  Molecular dynamic simulations  First-principles calculations  Rare-earth erbium  Basal/prismatic interfaces  Shear and tensile deformations   Coupling structural, chemical composition and stress fluctuations with relaxation dynamics in metallic glasses 期刊论文  OAI收割 ACTA MATERIALIA, 2024, 卷号: 275, 页码: 7 作者:  Sopu, D.;  Yuan, X.;  Spieckermann, F.;  Eckert, J.   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 Metallic glasses  Molecular dynamics simulations  Dynamics relaxation   Recognizing the function of different silane coupling agents on MXene adsorption/barrier behavior in solvent-borne epoxy coatings: Experimental studies, density functional theory, and molecular dynamics simulations 期刊论文  OAI收割 PROGRESS IN ORGANIC COATINGS, 2024, 卷号: 192, 页码: 15 作者:  Pourhashem, Sepideh;  Hadizadeh, Mohammad Hassan;  Ji, Xiaohong;  Zhou, Ziyang;  Duan, Jizhou   |  收藏  |  浏览/下载：48/0  |  提交时间：2024/08/29 Amino-silane functionalized MXene  Nano-SiO2 decorated MXene  Corrosion resistance  Epoxy coating  Density functional theory/molecular dynamics  simulations   Deep-learning potential molecular dynamics simulations of the structural and physical properties of rare-earth metal scandium 期刊论文  OAI收割 COMPUTATIONAL MATERIALS SCIENCE, 2024, 卷号: 242, 页码: 8 作者:  Xue, Hong-Tao;  Li, Juan;  Chang, Zhen;  Yang, Yan-Hong;  Tang, Fu-Ling   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27 Deep potential  Molecular dynamics simulations  First-principles calculations  Rare-earth metal Sc  Phase transformation   The anticancer potential of chemical constituents of Moringa oleifera targeting CDK-2 inhibition in estrogen receptor positive breast cancer using in-silico and in vitro approches 期刊论文  OAI收割 BMC COMPLEMENTARY MEDICINE AND THERAPIES, 2023, 卷号: 23, 期号: 1, 页码: 17 作者:  Sultan, Rida;  Ahmed, Abrar;  Wei, Li;  Saeed, Hamid;  Islam, Muhammad   |  收藏  |  浏览/下载：45/0  |  提交时间：2023/12/19 CDK2  ER+ Breast cancer  Molecular Docking  MM-GBSA  Molecular Dynamic Simulations  MTT assay  Moringa oleifera  Phytoconstituents  Chlorogenic acid   Elastic network models and molecular dynamic simulations reveal the molecular basis of allosteric regulation in ubiquitin-specific protease 7 (USP7) 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2023, 卷号: 162, 页码: 10 作者:  Xu, Jing;  Wang, Yiran;  Zhang, Jiali;  Abdelmoneim, Amr Abbas;  Liang, Zhongjie   |  收藏  |  浏览/下载：73/0  |  提交时间：2023/10/17 USP7  Allosteric regulation  Elastic network models  Molecular dynamics simulations   A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region 期刊论文  OAI收割 JOURNAL OF STRUCTURAL BIOLOGY, 2023, 卷号: 215, 期号: 2, 页码: 107942 作者:  Jiang, Hao;  Zu, Shijia;  Lu, Yu;  Sun, Zhongya;  Adeerjiang, Akejiang   |  收藏  |  浏览/下载：80/0  |  提交时间：2024/03/27 Small GTPases  Crystal structures of RhoA  Dynamics of switch II  Molecular dynamics simulations  Allosteric pocket   Atomistic Insights on Surface Quality Control via Annealing Process in AlGaN Thin Film Growth 期刊论文  OAI收割 NANOMATERIALS, 2023, 卷号: 13, 期号: 8, 页码: 1382 作者:  Peng Q(彭庆);  Ma ZW(马知未);  Cai, Shixian;  Zhao S(赵帅);  Chen, Xiaojia   |  收藏  |  浏览/下载：52/0  |  提交时间：2023/06/15 AlGaN thin film  molecular dynamics simulations  laser annealing  atomistic structure   Interfacial role of Ionic liquids in CO2 electrocatalytic Reduction: A mechanistic investigation 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 457, 页码: 10 作者:  Guo, Shuai;  Liu, Yawei;  Wang, Yanlei;  Dong, Kun;  Zhang, Xiangping   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/05/19 Ionic liquids  CO(2 )electrocatalytic reduction reaction  Density functional theory  Transition state  Hydrogen bond  Molecular dynamics simulations