机构

• 上海药物研究所 [13]
• 昆明植物研究所 [4]
• 沈阳自动化研究所 [3]
• 大连化学物理研究所 [2]
• 生态环境研究中心 [2]
• 化学研究所 [1]
• 更多

采集方式

• OAI收割 [29]

内容类型

• 期刊论文 [27]
• 会议论文 [2]

发表日期

• 2024 [2]
• 2021 [3]
• 2020 [2]
• 2019 [3]
• 2018 [5]
• 2015 [2]
• 更多

学科主题

• Biochemist... [2]
• Biochemist... [1]
• Biophysics [1]

筛选

浏览/检索结果: 共29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 Design, Synthesis, and Biological Evaluation of HDAC Inhibitors Containing Natural Product-Inspired N-Linked 2-Acetylpyrrole Cap 期刊论文  OAI收割 MOLECULES, 2024, 卷号: 29, 期号: 19, 页码: 26 作者:  Zhang, Han;  Shen, Qianqian;  Hu, Zhu;  Wu, Pei-Qian;  Chen, Yi   |  收藏  |  浏览/下载：5/0  |  提交时间：2024/11/26 HDAC inhibitors  anti-cancer activity  natural products  pyrrole derivatives  molecular docking  molecular dynamics simulation   A novel approach to exploit Small-Molecule glucagon-like Peptide-1 receptor agonists with high potency 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY, 2024, 卷号: 107, 页码: 19 作者:  Wang, Xiaoyan;  Yun, Ying;  Chen, Lili;  Guo, Shimeng;  Niu, Buying   |  收藏  |  浏览/下载：33/0  |  提交时间：2024/07/12 Diabetes  GLP-1 receptor  Agonist  Structural optimization  Water molecule replacement  Structure activity relationship  Docking simulation   The shape optimization design of the guide plate of the modular AUV recovery device 会议论文  OAI收割 Dalian, China, July 15-17, 2021 作者:  Wang XH(王旭辉);  Zhang W(张玮);  Lin Y(林扬);  Gu HT(谷海涛);  Meng LS(孟令帅)   |  收藏  |  浏览/下载：46/0  |  提交时间：2021/11/21 combinatorial optimization  co-simulation  docking  AUV   Discovery of potentially biased agonists of mu-opioid receptor (MOR) through molecular docking, pharmacophore modeling, and MD simulation 期刊论文  OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2021, 卷号: 90, 页码: 107405 作者:  Jiang,Xuan;  Li,Shuxiang;  Zhang,Hongbin;  Wang,Liang-Liang   |  收藏  |  浏览/下载：17/0  |  提交时间：2022/04/02 mu-Opioid receptors (MOR)  Biased ligands  Molecular docking  Hip-hop pharmacophore  MD simulation   Discovery of novel modulators targeting human TRPC5: Docking-based virtual screening, molecular dynamics simulation and binding af fi nity predication 期刊论文  OAI收割 JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2021, 卷号: 102, 页码: 107795 作者:  Liu,Bin;  Zhang,Wei;  Guo,Sheng;  Zuo,Zhili   |  收藏  |  浏览/下载：45/0  |  提交时间：2022/04/02 hTRPC5  Homology modeling  Molecular docking  Molecular dynamics simulation  Virtual screening  INHIBITOR  CHANNELS  GROMACS  POTENT  AMBER  IDENTIFICATION  CONSTRAINTS  INTEGRATION  AMYGDALA   Estrogenic activity of benzotriazole UV stabilizers evaluated through in vitro assays and computational studies 期刊论文  OAI收割 SCIENCE OF THE TOTAL ENVIRONMENT, 2020, 卷号: 727, 页码: 1-11 作者:  Feng, Hongru;  Cao, Huiming;  Li, Juan;  Zhang, Haiyan;  Xue, Qiao   |  收藏  |  浏览/下载：28/0  |  提交时间：2021/09/14 Endocrine disruption  Environmental contamination  Estrogen receptor  MVLN assay  Molecular docking and dynamics simulation   Discovery and Biological Evaluation of New Selective Acetylcholinesterase Inhibitors with Anti-A beta Aggregation Activity through Molecular Docking-Based Virtual Screening 期刊论文  OAI收割 CHEMICAL & PHARMACEUTICAL BULLETIN, 2020, 卷号: 68, 期号: 2, 页码: 161-166 作者:  Liu, Guangpu;  Jiao, Yang;  Lin, Yongqiang;  Hao, Haifang;  Dou, Yanli   |  收藏  |  浏览/下载：33/0  |  提交时间：2020/07/01 selective acetylcholinesterase inhibitor  amyloid beta aggregation  neuroprotectant  molecular docking  molecular dynamics simulation   Homology modeling and 3D-QSAR study of benzhydrylpiperazine delta opioid receptor agonists 期刊论文  OAI收割 COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 83, 页码: 9 作者:  Pan, Chenling;  Meng, Hao;  Zhang, Shuqun;  Zuo, Zhili;  Shen, Yuehai   |  收藏  |  浏览/下载：34/0  |  提交时间：2020/03/18 delta opioid receptor agonists  3D-QSAR  Homology modeling  Molecular dynamics simulation  Molecular docking   Integration of multiscale molecular modeling approaches with the design and discovery of fusidic acid derivatives 期刊论文  OAI收割 FUTURE MEDICINAL CHEMISTRY, 2019, 卷号: 11, 期号: 12, 页码: 1427-1442 作者:  Lu, Jing;  Ni, Ling-Xuan;  Wang, Jin-An;  Liu, Ze-Yun;  Shang, Kang-Le   |  收藏  |  浏览/下载：11/0  |  提交时间：2020/07/01 antibacterial activity  docking  fusidic acid  half-life  molecular dynamic simulation  pharmacokinetics   A physics-based simulation for AUV underwater docking using the MHDG method and a discretized propeller 期刊论文  OAI收割 Ocean Engineering, 2019, 卷号: 187, 页码: 1-12 作者:  Wu LH(吴利红);  Li YP(李一平);  Liu KZ(刘开周);  Wang SW(王诗文);  Ai XF(艾晓锋)   |  收藏  |  浏览/下载：11/0  |  提交时间：2019/08/04 AUV underwater docking  Self-propulsion  Discretized propeller  Dynamic mesh  Physics-based simulation