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ORCIDLi Rao 0001
Person information
- affiliation: Central China Normal University, Key Laboratory of Pesticide & Chemical Biology, CCNU, Wuhan, China
- affiliation: Fudan University, MOE Laboratory for Computational Physical Science, Shanghai, China
Other persons with the same name
- Li Rao — disambiguation page
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2020 – today
- 2023
[j5]Jiaqi Liu, Jian Wan
, Yanliang Ren, Xubo Shao, Xin Xu, Li Rao:
DOX_BDW: Incorporating Solvation and Desolvation Effects of Cavity Water into Nonfitting Protein-Ligand Binding Affinity Prediction. J. Chem. Inf. Model. 63(15): 4850-4863 (2023)- 2020
- [j4]Lin Wei, Wuqiang Wen, Li Rao, Yunyuan Huang, Mengting Lei, Kai Liu, Saiya Hu, Rongrong Song, Yanliang Ren, Jian Wan:
Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation. J. Chem. Inf. Model. 60(9): 4388-4402 (2020)
2010 – 2019
- 2017
- [j3]Xinya Han, Xiuyun Zhu, Zongqin Hong, Lin Wei, Yanliang Ren, Fen Wan, Shuaihua Zhu, Hao Peng, Li Guo, Li Rao, Lingling Feng, Jian Wan:
Structure-Based Rational Design of Novel Inhibitors Against Fructose-1,6-Bisphosphate Aldolase from Candida albicans. J. Chem. Inf. Model. 57(6): 1426-1438 (2017) - 2016
- [j2]Li Rao, Bo Chi, Yanliang Ren, Yongjian Li, Xin Xu, Jian Wan:
DOX: A new computational protocol for accurate prediction of the protein-ligand binding structures. J. Comput. Chem. 37(3): 336-344 (2016) - 2013
- [j1]Li Rao, Igor Ying Zhang, Wenping Guo, Li Feng, Eric Meggers, Xin Xu:
Nonfitting protein-ligand interaction scoring function based on first-principles theoretical chemistry methods: Development and application on kinase inhibitors. J. Comput. Chem. 34(19): 1636-1646 (2013)
Coauthor Index
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