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浏览/检索结果: 共3394条，第1-10条 帮助 限定条件 存缴方式：oaiharvest    内容类型：期刊论文     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序题名升序题名降序作者升序作者降序发表日期升序发表日期降序 Machine learning prediction for constructing a universal multidimensional information library of Panax saponins (ginsenosides) 期刊论文  OAI收割 FOOD CHEMISTRY, 2024, 卷号: 439, 页码: 10 作者:  Wang, Hongda;  Zhang, Lin;  Li, Xiaohang;  Sun, Mengxiao;  Jiang, Meiting   |  收藏  |  浏览/下载：11/0  |  提交时间：2024/02/19 Retention time  Collision cross section  Machine learning  Multidimensional information library  Hierarchical design   Design and Synthesis of Novel Macrocyclic Derivatives as Potent and Selective Cyclin-Dependent Kinase 7 Inhibitors 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2024, 页码: 20 作者:  Niu, Pengpeng;  Tao, Yanxin;  Lin, Guohao;  Xu, Huiqi;  Meng, Qingyuan   |  收藏  |  浏览/下载：0/0  |  提交时间：2024/05/22 DockingGA: enhancing targeted molecule generation using transformer neural network and genetic algorithm with docking simulation 期刊论文  OAI收割 BRIEFINGS IN FUNCTIONAL GENOMICS, 2024, 页码: 12 作者:  Gao, Changnan;  Bao, Wenjie;  Wang, Shuang;  Zheng, Jianyang;  Wang, Lulu   |  收藏  |  浏览/下载：1/0  |  提交时间：2024/05/20 molecule generation  molecule optimization  drug discovery  deep learning  drug design  genetic algorithm   A Computational and Chemical Design Strategy for Manipulating Glycan-Protein Recognition 期刊论文  OAI收割 ADVANCED SCIENCE, 2024, 页码: 14 作者:  Zhu, Qiang;  Geng, Didi;  Li, Jingchao;  Zhang, Jinqiu;  Sun, Haofan   |  收藏  |  浏览/下载：0/0  |  提交时间：2024/05/22 CH-pi interaction  glycan-protein recognition  glycoproteomics  PhoSL  core fucose   Rational design and discovery of novel oxalate-like derivatives as aphid-repellent candidates based on odorant-binding protein 3 期刊论文  OAI收割 JOURNAL OF MOLECULAR STRUCTURE, 2024, 卷号: 1301, 页码: 11 作者:  Zhu, Ziwei;  Li, Jianing;  Liu, Chong;  Li, Huilin;  Lu, Xingxing   |  收藏  |  浏览/下载：13/0  |  提交时间：2024/04/09 Odorant-binding protein  Oxalate-like derivatives  Rational design  Repellent activity  Behavioural control agents   The influence of SRB on corrosion behavior of Cu-based medium-entropy alloy coating sprayed by HVOF 期刊论文  OAI收割 BIOELECTROCHEMISTRY, 2024, 卷号: 156, 页码: 10 作者:  Cheng, Jie;  Wu, Yuping;  Duan, Jizhou;  Polat, Gokhan;  Hong, Sheng   |  收藏  |  浏览/下载：30/0  |  提交时间：2024/04/07 Cu-based MEA coating  HVOF spraying  Thermo-Calc simulation  SRB  Microbiologically influenced corrosion   Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文  OAI收割 MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14 作者:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong   |  收藏  |  浏览/下载：0/0  |  提交时间：2024/05/27 Li10GeP2S12 solid electrolyte  first-principles calculation  Ewald-summation-based electrostatic energy  machine learning- and active-learning-based LAsou method  ab initio molecular dynamics   Proteasome activation: A novel strategy for targeting undruggable intrinsically disordered proteins 期刊论文  OAI收割 BIOORGANIC CHEMISTRY, 2024, 卷号: 145, 页码: 17 作者:  Yu, Qian;  Wang, Zheng;  Tu, Yutong;  Cao, Yu;  Zhu, Huajian   |  收藏  |  浏览/下载：0/0  |  提交时间：2024/05/07 20S proteasome  Proteasome activation  IDPs  Undruggable  Protein homeostasis   Discovery of a Covalent Inhibitor Selectively Targeting the Autophosphorylation Site of c-Src Kinase 期刊论文  OAI收割 ACS CHEMICAL BIOLOGY, 2024, 页码: 12 作者:  Zhang, Huimin;  Xu, Dounan;  Huang, Hongchan;  Jiang, Hao;  Hu, Linghao   |  收藏  |  浏览/下载：1/0  |  提交时间：2024/05/07 Impact of Halogen Bonds on Protein-Peptide Binding and Protein Structural Stability Revealed by Computational Approaches 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2024, 页码: 11 作者:  Li, Jintian;  Zhou, Liping;  Han, Zijian;  Wu, Leyun;  Zhang, Jianfang   |  收藏  |  浏览/下载：0/0  |  提交时间：2024/05/07