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• 化学研究所 [23]
• 上海药物研究所 [8]
• 大连化学物理研究所 [8]
• 力学研究所 [7]
• 金属研究所 [7]
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• OAI收割 [78]
• iSwitch采集 [3]

内容类型

• 期刊论文 [81]

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• 2019 [3]
• 2018 [5]
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浏览/检索结果: 共81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 Conformational analysis of soticlestat, an inhibitor of CYP46A1 (CH24H), and its derivatives by variable-temperature nmr and computational methods 期刊论文  OAI收割 STRUCTURAL CHEMISTRY, 2025, 页码: 25 作者:  Huang, Wenqian;  Hu, Xinwei;  Lin, Xiaotong;  Khan, Maaz;  Qian, Chunli   |  收藏  |  浏览/下载：10/0  |  提交时间：2025/04/01 Atropisomerism  Axial chirality  Soticlestat  Variable-temperature NMR  Molecular mechanics  Quantum mechanics   The phenolic profile of walnut meal protein isolate and interaction of phenolics with walnut protein 期刊论文  OAI收割 FOOD RESEARCH INTERNATIONAL, 2023, 卷号: 170, 页码: 113042 作者:  Wang,Yuxi;  Tan,Bing;  Chen,Chi;  Zhang,Xudong;  Sun,Xiangjun   |  收藏  |  浏览/下载：25/0  |  提交时间：2024/07/30 Walnut meal  Protein isolate  Phenolic compounds  Interaction mechanisms  Protein functional properties  AMINO-ACID-COMPOSITION  FUNCTIONAL-PROPERTIES  MOLECULAR DOCKING  ANTIOXIDANT ACTIVITY  BINDING INTERACTION  QUANTUM-MECHANICS  BETA-CASEIN  BIOACCESSIBILITY  HYDROLYSIS  PEPTIDES   Research of Lilium brownii leaves extract as a commendable and green inhibitor for X70 steel corrosion in hydrochloric acid 期刊论文  OAI收割 JOURNAL OF MOLECULAR LIQUIDS, 2021, 卷号: 321 作者:  Zuo, Xiuli;  Li, Wenpo;  Luo, Wei;  Zhang, Xin;  Qiang, Yujie   |  收藏  |  浏览/下载：12/0  |  提交时间：2021/12/01 M HCL SOLUTION  MILD-STEEL  SULFURIC-ACID  CARBON-STEEL  MOLECULAR-DYNAMICS  COPPER CORROSION  QUANTUM-MECHANICS  AQUEOUS EXTRACT  M H2SO4  DERIVATIVES   Accurate prediction of relative binding affinities of a series of HIV-1 protease inhibitors using semi-empirical quantum mechanical charge 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2020, 页码: 8 作者:  Peng, Cheng;  Wang, Jinan;  Xu, Zhijian;  Cai, Tingting;  Zhu, Weiliang   |  收藏  |  浏览/下载：24/0  |  提交时间：2020/07/01 adaptive steered molecular dynamics (ASMD)  binding affinity  HIV-1 protease  semi-empirical quantum mechanics   Synthesis of Pure Silica MWW Zeolite in Fluoride Medium by Using an Imidazolium-Based Long Dication 期刊论文  OAI收割 CHEMISTRY-A EUROPEAN JOURNAL, 2019, 卷号: 25, 期号: 6, 页码: 1561-1572 作者:  Gomez-Hortiguela, Luis;  Lu, Peng;  Camblor, Miguel A.   |  收藏  |  浏览/下载：56/0  |  提交时间：2019/06/20 density functional calculations  fluoride media  molecular mechanics  structure directing agent  zeolites   Synthesis of pure silica mww zeolite in fluoride medium by using an imidazolium-based long dication 期刊论文  iSwitch采集 Chemistry-a european journal, 2019, 卷号: 25, 期号: 6, 页码: 1561-1572 作者:  Lu, Peng;  Gomez-Hortiguela, Luis;  Camblor, Miguel A. 收藏  |  浏览/下载：153/0  |  提交时间：2019/05/08 Density functional calculations  Fluoride media  Molecular mechanics  Structure directing agent  Zeolites   Atomic force microscopy in probing tumor physics for nanomedicine 期刊论文  OAI收割 IEEE Transactions on Nanotechnology, 2019, 卷号: 18, 页码: 83-113 作者:  Li M(李密);  Wang YC(王越超);  Liu LQ(刘连庆)   |  收藏  |  浏览/下载：25/0  |  提交时间：2018/12/16 atomic force microscopy  physical oncology  nanomedicine  cell mechanics  molecular recognition  tissue characterization   Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron 期刊论文  OAI收割 PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 2018, 卷号: 215, 页码: 1700494 作者:  Long, Xue Hao;  Wang, Dong;  Setyawan, Wahyu;  Liu, Peng;  Gao, Ning   |  收藏  |  浏览/下载：44/0  |  提交时间：2018/05/31 dislocation loop  mechanics  micro-crack  molecular statics  torsion   Atomistic Simulation of Interstitial Dislocation Loop Evolution under Applied Stresses in BCC Iron 期刊论文  iSwitch采集 PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 2018, 卷号: 215, 期号: 1, 页码: 5 作者:  Long, Xue Hao;  Wang, Dong;  Setyawan, Wahyu;  Liu, Peng;  Gao, Ning 收藏  |  浏览/下载：56/0  |  提交时间：2019/10/09 dislocation loop  mechanics  micro-crack  molecular statics  torsion   Interaction assessments of the first S-adenosylmethionine competitive inhibitor and the essential interacting partner methylosome protein 50 with protein arginine methyltransferase 5 by combined computational methods 期刊论文  OAI收割 BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2018, 卷号: 495, 期号: 1, 页码: 721-727 作者:  Zhu, Kongkai;  Jiang, Cheng-Shi;  Hu, Junchi;  Liu, Xigong;  Yan, Xue   |  收藏  |  浏览/下载：27/0  |  提交时间：2019/01/08 PRMT5 SAM competitive inhibitor  Molecular docking  Molecular dynamics simulation  Molecular mechanics/Poisson-Boltzmann surface area  PRMT5:MEP50 interaction