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浏览/检索结果: 共193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 Computational and in vitro evaluation of sumac-derived ?Rutan compounds towards Sars-CoV-2 Mpro inhibition 期刊论文  OAI收割 FRONTIERS IN PHARMACOLOGY, 2025, 卷号: 16, 页码: 16 作者:  Kayumov, Muzaffar;  Marimuthu, Parthiban;  Razzokov, Jamoliddin;  Mukhamedov, Nurkhodja;  Asrorov, Akmal   |  收藏  |  浏览/下载：5/0  |  提交时间：2025/04/01 Rutan  SARS-CoV-2 M-pro  docking  MD simulations  in vitro analysis   Synthesis and evaluation of hybrid molecules as RIPK1 and HDACs dual inhibitors 期刊论文  OAI收割 JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1318, 页码: 13 作者:  Tang, Mingze;  Zhou, Xuan;  Shen, Qianqian;  Fang, Chen;  Peng, Xia   |  收藏  |  浏览/下载：13/0  |  提交时间：2024/08/22 Receptor -interacting protein kinase 1  Histone deacetylases  Inhibitor  Molecular dynamics (MD) simulation  ADMET analysis   Machine learning models and computational simulation techniques for prediction of anti-corrosion properties of novel benzimidazole derivatives 期刊论文  OAI收割 MATERIALS TODAY COMMUNICATIONS, 2024, 卷号: 41, 页码: 23 作者:  Ekeocha, Christopher Ikechukwu;  Uzochukwu, Ikechukwu Nelson;  Etim, Ini-Ibehe Nabuk;  Onyeachu, Benedict Ikenna;  Oguzie, Emeka Emmanuel   |  收藏  |  浏览/下载：9/0  |  提交时间：2024/12/20 Corrosion inhibitors  DFT  MD simulation  predictive model  machine learning   Mechanical properties of TPDH-graphene: atomistic aspect 期刊论文  OAI收割 PHYSICA SCRIPTA, 2024, 卷号: 99, 期号: 11, 页码: 115996 作者:  Peng Q(彭庆);  Chen, Gen;  Huang, Zeyu;  Zhang, Yuqiang;  Zhang XF(张晓帆)   |  收藏  |  浏览/下载：8/0  |  提交时间：2024/12/02 TPDH-graphene  MD  mechanical property  defects   Molecular Dynamics Insights into Mechanical Stability, Elastic Properties, and Fracture Behavior of PHOTH-Graphene 期刊论文  OAI收割 MATERIALS, 2024, 卷号: 17, 期号: 19, 页码: 20 作者:  Peng, Qing;  Chen, Gen;  Huang, Zeyu;  Chen, Xue;  Li, Ao   |  收藏  |  浏览/下载：9/0  |  提交时间：2024/11/14 PHOTH-graphene  mechanical property  MD  defects  hydrogen functionalization   Theoretical study of novel antipyrine derivatives as promising corrosion inhibitors for mild steel in an acidic environment 期刊论文  OAI收割 STRUCTURAL CHEMISTRY, 2024, 页码: 17 作者:  Ekeocha, Christopher Ikechukwu;  Uzochukwu, Ikechukwu Nelson;  Onyeachu, Ikenna Benedict;  Etim, Ini-Ibehe Nabuk;  Oguzie, Emeka Emmanuel   |  收藏  |  浏览/下载：8/0  |  提交时间：2024/12/20 Acid cleaning  Antipyrine derivatives  Corrosion inhibitors  DFT  MD simulation  Mild steel   Insights into the effect of water content on asphaltene aggregation behavior and crude oil rheology: A molecular dynamics simulation study 期刊论文  OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2024, 卷号: 396, 页码: 9 作者:  Zhu, Bojin;  Yang, Menglong;  Yan, Youguo;  Zhong, Jie;  Li, Jiawei   |  收藏  |  浏览/下载：24/0  |  提交时间：2024/04/07 W/O emulsions  Water content  Asphaltene polar adsorption  Viscosity mechanism  MD simulations   Experimental and theoretical investigations of three Mannich-base imidazoline quaternary ammonium salts as efficient inhibitors for Q235 steel in sulfuric acid 期刊论文  OAI收割 APPLIED SURFACE SCIENCE, 2023, 卷号: 638, 页码: 20 作者:  Wang, Ge;  Li, Wentao   |  收藏  |  浏览/下载：12/0  |  提交时间：2024/01/08 Acid corrosion  Imidazoline quaternary ammonium salt  Adsorption  DFT  MD   Glacial-Interglacial Circulation and Climatic Changes in the South Indian Ocean (Kerguelen Plateau Region) Recorded by Detrital and Biogenic Magnetic Minerals 期刊论文  OAI收割 JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH, 2023, 卷号: 128, 期号: 11, 页码: 20 作者:  Liu, Yan;  Kissel, Catherine;  Mazaud, Alain;  Pan, Yongxin;  Li, Jinhua   |  收藏  |  浏览/下载：25/0  |  提交时间：2024/01/02 Southern Hemisphere westerly wind  Antarctic Circumpolar Current  Southern Ocean upwelling  core MD11-3353  detrital titanomagnetites  magnetofossils   Combining experimental analyses and molecular dynamics simulations in impurity removal at the Si/slag interface 期刊论文  OAI收割 METALLURGICAL RESEARCH & TECHNOLOGY, 2023, 卷号: 120, 期号: 4, 页码: 11 作者:  Liu, Yubao;  Guo, Yibo;  Li, Yaqiong;  Liu, Yao;  Fu, Jie   |  收藏  |  浏览/下载：9/0  |  提交时间：2023/12/13 Impurity removal  slag refining  interface reaction  MD simulation