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2020 – today
- 2023
[j9]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
- [j8]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
- [j7]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
- [j6]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) - [j5]Xinya Han, Xiuyun Zhu, Shuaihua Zhu, Lin Wei, Zongqin Hong, Li Guo, Haifeng Chen, Bo Chi, Yan Liu, Lingling Feng, Yanliang Ren, Jian Wan:
A Rational Design, Synthesis, Biological Evaluation and Structure-Activity Relationship Study of Novel Inhibitors against Cyanobacterial Fructose-1, 6-bisphosphate Aldolase. J. Chem. Inf. Model. 56(1): 73-81 (2016) - 2015
- [j4]Yanliang Ren, Osama Melhem, Yongjian Li, Bo Chi, Xinya Han, Hao Zhu, Lingling Feng, Jian Wan, Xin Xu:
Clarifying and illustrating the electronic energy transfer pathways in trimeric and hexameric aggregation state of cyanobacteria allophycocyanin within the framework of Förster theory. J. Comput. Chem. 36(3): 137-145 (2015) - 2014
- [j3]Yao Sun, Rui Zhang, Ding Li, Lingling Feng, Di Wu, Lina Feng, Peipei Huang, Yanliang Ren, Jiangtao Feng, San Xiao, Jian Wan:
Pharmacophore-Based Virtual Screening and Experimental Validation of Novel Inhibitors against Cyanobacterial Fructose-1, 6-/Sedoheptulose-1, 7-bisphosphatase. J. Chem. Inf. Model. 54(3): 894-901 (2014) - 2013
- [j2]Yanliang Ren, Bo Chi, Osama Melhem, Ke Wei, Lingling Feng, Yongjian Li, Xinya Han, Ding Li, Ying Zhang, Jian Wan, Xin Xu, Minghui Yang:
Understanding the electronic energy transfer pathways in the trimeric and hexameric aggregation state of cyanobacteria phycocyanin within the framework of förster theory. J. Comput. Chem. 34(12): 1005-1012 (2013) - 2012
- [j1]Ding Li, Jie Gui, Yongjian Li, Lingling Feng, Xinya Han, Yao Sun, Tinglin Sun, Zhigang Chen, Yi Cao, Yang Zhang, Li Zhou, Xiaopeng Hu, Yanliang Ren, Jian Wan:
Structure-Based Design and Screen of Novel Inhibitors for Class II 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase from Streptococcus Pneumoniae. J. Chem. Inf. Model. 52(7): 1833-1841 (2012)
2000 – 2009
- 2006
- [c1]Yanliang Ren, Qingye Zhang, Jian Wan, Xiangcheng Huang, Peng Xie, Guangfu Yang:
Implementation of CCNUGrid-Based Drug Virtual Screening Applications Using Workflow Techniques. GCC Workshops 2006: 371-374
Coauthor Index
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