| A proton-shuttle reaction mechanism for histone deacetylase 8 and the catalytic role of metal ions R Wu, S Wang, N Zhou, Z Cao, Y Zhang Journal of the American Chemical Society 132 (27), 9471-9479, 2010 | 158 | 2010 |
| Explore the interaction mechanism between zein and EGCG using multi-spectroscopy and molecular dynamics simulation methods C Liu, N Lv, G Ren, R Wu, B Wang, Z Cao, H Xie Food Hydrocolloids 120, 106906, 2021 | 142 | 2021 |
| Zinc chelation with hydroxamate in histone deacetylases modulated by water access to the linker binding channel R Wu, Z Lu, Z Cao, Y Zhang Journal of the American Chemical Society 133 (16), 6110-6113, 2011 | 114 | 2011 |
| Flexibility of catalytic zinc coordination in thermolysin and HDAC8: A Born− Oppenheimer ab initio QM/MM molecular dynamics study R Wu, P Hu, S Wang, Z Cao, Y Zhang Journal of chemical theory and computation 6 (1), 337-343, 2010 | 98 | 2010 |
| Deep learning driven biosynthetic pathways navigation for natural products with BioNavi-NP S Zheng, T Zeng, C Li, B Chen, CW Coley, Y Yang, R Wu Nature Communications 13 (1), 3342, 2022 | 83 | 2022 |
| Molecular dynamics-based virtual screening: accelerating the drug discovery process by high-performance computing H Ge, Y Wang, C Li, N Chen, Y Xie, M Xu, Y He, X Gu, R Wu, Q Gu, ... Journal of chemical information and modeling 53 (10), 2757-2764, 2013 | 80 | 2013 |
| A transferable nonbonded pairwise force field to model zinc interactions in metalloproteins R Wu, Z Lu, Z Cao, Y Zhang Journal of chemical theory and computation 7 (2), 433-443, 2011 | 64 | 2011 |
| Biosynthetic mechanism of lanosterol: cyclization N Chen, S Wang, L Smentek, BA Hess Jr, R Wu Angewandte Chemie International Edition 54 (30), 8693-8696, 2015 | 61 | 2015 |
| Borane-Catalyzed Chemoselectivity-Controllable N-Alkylation and ortho C-Alkylation of Unprotected Arylamines Using Benzylic Alcohols SS Meng, X Tang, X Luo, R Wu, JL Zhao, ASC Chan ACS Catalysis 9 (9), 8397-8403, 2019 | 60 | 2019 |
| Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase X Zhang, R Wu, L Song, Y Lin, M Lin, Z Cao, W Wu, Y Mo Journal of computational chemistry 30 (15), 2388-2401, 2009 | 54 | 2009 |
| Interaction mechanism between zein and β-lactoglobulin: Insights from multi-spectroscopy and molecular dynamics simulation methods C Liu, N Lv, Y Song, L Dong, M Huang, Q Shen, G Ren, R Wu, B Wang, ... Food Hydrocolloids 135, 108226, 2023 | 51 | 2023 |
| pH-dependent interaction mechanisms between β-lactoglobulin and EGCG: insights from multi-spectroscopy and molecular dynamics simulation methods C Liu, N Lv, YQ Xu, H Tong, Y Sun, M Huang, G Ren, Q Shen, R Wu, ... Food Hydrocolloids 133, 108022, 2022 | 51 | 2022 |
| TeroKit: a database-driven web server for terpenome research T Zeng, Z Liu, J Zhuang, Y Jiang, W He, H Diao, N Lv, Y Jian, D Liang, ... Journal of Chemical Information and Modeling 60 (4), 2082-2090, 2020 | 51 | 2020 |
| Computational design of a time-dependent histone deacetylase 2 selective inhibitor J Zhou, M Li, N Chen, S Wang, HB Luo, Y Zhang, R Wu ACS chemical biology 10 (3), 687-692, 2015 | 51 | 2015 |
| Loddigesiinols G–J: α-Glucosidase Inhibitors from Dendrobium loddigesii Y Lu, M Kuang, GP Hu, RB Wu, J Wang, L Liu, YC Lin Molecules 19 (6), 8544-8555, 2014 | 50 | 2014 |
| Development of a Smart Fluorescent Sensor That Specifically Recognizes the c-MYC G-Quadruplex MH Hu, J Zhou, WH Luo, SB Chen, ZS Huang, R Wu, JH Tan Analytical Chemistry 91 (3), 2480-2487, 2019 | 49 | 2019 |
| Catalytic role of carbonyl oxygens and water in selinadiene synthase YH Wang, H Xu, J Zou, XB Chen, YQ Zhuang, WL Liu, E Celik, GD Chen, ... Nature catalysis 5 (2), 128-135, 2022 | 45 | 2022 |
| Structural insights into three sesquiterpene synthases for the biosynthesis of tricyclic sesquiterpenes and chemical space expansion by structure-based mutagenesis T Lou, A Li, H Xu, J Pan, B Xing, R Wu, JS Dickschat, D Yang, M Ma Journal of the American Chemical Society 145 (15), 8474-8485, 2023 | 42 | 2023 |
| Bufospirostenin A and Bufogargarizin C, Steroids with Rearranged Skeletons from the Toad Bufo bufo gargarizans HY Tian, LJ Ruan, T Yu, QF Zheng, NH Chen, RB Wu, XQ Zhang, L Wang, ... Journal of Natural Products 80 (4), 1182-1186, 2017 | 38 | 2017 |
| Exploring chemical and biological space of terpenoids T Zeng, Z Liu, H Liu, W He, X Tang, L Xie, R Wu Journal of Chemical Information and Modeling 59 (9), 3667-3678, 2019 | 37 | 2019 |