Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Runduo Liu"'
Autor:
Deyan Wu, Xuehua Zheng, Runduo Liu, Zhe Li, Zan Jiang, Qian Zhou, Yue Huang, Xu-Nian Wu, Chen Zhang, Yi-You Huang, Hai-Bin Luo
Publikováno v:
Acta Pharmaceutica Sinica B, Vol 12, Iss 3, Pp 1351-1362 (2022)
Scaffold hopping refers to computer-aided screening for active compounds with different structures against the same receptor to enrich privileged scaffolds, which is a topic of high interest in organic and medicinal chemistry. However, most approache
Externí odkaz:
https://doaj.org/article/35e8bd3e764c47488baa224bfba360df
Autor:
Mingfu Wen, Yueqian Du, Runduo Liu, Zeqin Li, Longshi Rao, Hongwei Xiao, Yi Ouyang, Xiaodong Niu
Publikováno v:
Frontiers in Materials, Vol 9 (2022)
Magnetorheological fluids (MRFs) are a class of smart magnetic controlled materials whose rheological properties can be controlled by a magnetic field. These materials have advantages of short response time, high dynamic range and low energy consumpt
Externí odkaz:
https://doaj.org/article/fe5f2341fbf24b369ce05b4361aaac14
Publikováno v:
Journal of Chemical Information and Modeling. 63:561-570
Free energy perturbation-relative binding free energy (FEP-RBFE) prediction has shown its reliability and accuracy in the prediction of protein-ligand binding affinities, which plays a fundamental role in structure-based drug design. In FEP-RBFE pred
Autor:
Zhe Li, Chengkun Wu, Yishui Li, Runduo Liu, Kai Lu, Ruibo Wang, Jie Liu, Chunye Gong, Canqun Yang, Xin Wang, Chang-Guo Zhan, Hai-Bin Luo
Publikováno v:
The International Journal of High Performance Computing Applications. 37:45-57
As a theoretically rigorous and accurate method, FEP-ABFE (Free Energy Perturbation-Absolute Binding Free Energy) calculations showed great potential in drug discovery, but its practical application was difficult due to high computational cost. To ra
Autor:
Zhe Li, Runduo Liu, Hai-Bin Luo, Chen Zhang, Deyan Wu, Zan Jiang, Qian Zhou, Xu-Nian Wu, Yue Huang, Xuehua Zheng, Yi-You Huang
Publikováno v:
Acta Pharmaceutica Sinica B. 12:1351-1362
Scaffold hopping refers to computer-aided screening for active compounds with different structures against the same receptor to enrich privileged scaffolds, which is a topic of high interest in organic and medicinal chemistry. However, most approache
Autor:
Liang Ji, Xinguang Zhou, Runduo Liu, Liming Wang, Yuanyuan Hu, Jinyu Gu, Zhe Li, Chenglin Li, Tonghui Huang, Yanyan Yu
Publikováno v:
Sensors and Actuators B: Chemical. 380:133415
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America
Behnam and Klein (1) carried out in vitro assays on two severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro) inhibitors, including atazanavir reported by us (2), using an Mpro protein with C-terminal His-tag under various
Autor:
Cheng Tian, Guangzhong Liang, Chunyi Wang, Ruikai He, Keni Ning, Zhe Li, Runduo Liu, Yan Ma, Shixia Guan, Jiewei Deng, Junqiu Zhai
Publikováno v:
Biosensors and Bioelectronics. 211:114360
In situ imaging of DNA repair enzymes in living cells gives important insights to diagnosis and explore the formation of various diseases. Fluorescent probes have become a powerful and widely used technique for their high sensitivity and real-time ca
Autor:
Zhe Li, Ling Huang, Chen Zhang, Lei Guo, Ju Huang, Runduo Liu, Hai-Bin Luo, Qian Zhou, Lehui Xiao, Sirui Zhang, Deyan Wu, Yinuo Wu, Yuqi Gao, Yi-You Huang
Publikováno v:
ACS chemical biology. 16(5)
A challenge for sensors targeting specific enzymes of interest in their native environment for direct imaging is that they rationally exploit a highly selective fluorescent probe with a high binding affinity to provide real-time detection. Immunohist
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America
Proceedings of the National Academy of Sciences
Proceedings of the National Academy of Sciences
Ma and Wang (1) tested our recently reported severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro) noncovalent inhibitors (2) using their in vitro assays, and they obtained negligible or much lower inhibitory activities co