Implementation of CCNUGrid-Based Drug Virtual Screening Applications Using Workflow Techniques. - Yanliang Ren; Qingye Zhang; Jian Wan 004; Xiangcheng Huang; Peng Xie; Guangfu Yang (GCC Workshops, 2006)

Structure-Based Design and Screen of Novel Inhibitors for Class II 3-Hydroxy-3-methylglutaryl Coenzyme A Reductase from Streptococcus Pneumoniae. - Ding Li 003; Jie Gui; Yongjian Li; Lingling Feng; Xinya Han; Yao Sun; Tinglin Sun; Zhigang Chen; Yi Cao; Yang Zhang; Li Zhou; Xiaopeng Hu; et al. (J. Chem. Inf. Model., 2012)

Understanding the electronic energy transfer pathways in the trimeric and hexameric aggregation state of cyanobacteria phycocyanin within the framework of förster theory. - Yanliang Ren; Bo Chi; Osama Melhem; Ke Wei; Lingling Feng; Yongjian Li; Xinya Han; Ding Li 003; Ying Zhang 034; Jian Wan 004; Xin Xu 004; Minghui Yang (J. Comput. Chem., 2013)

Pharmacophore-Based Virtual Screening and Experimental Validation of Novel Inhibitors against Cyanobacterial Fructose-1, 6-/Sedoheptulose-1, 7-bisphosphatase. - Yao Sun; Rui Zhang; Ding Li 003; Lingling Feng; Di Wu; Lina Feng; Peipei Huang; Yanliang Ren; Jiangtao Feng; San Xiao; Jian Wan 004 (J. Chem. Inf. Model., 2014)

Clarifying and illustrating the electronic energy transfer pathways in trimeric and hexameric aggregation state of cyanobacteria allophycocyanin within the framework of Förster theory. - Yanliang Ren; Osama Melhem; Yongjian Li; Bo Chi; Xinya Han; Hao Zhu; Lingling Feng; Jian Wan 004; Xin Xu 004 (J. Comput. Chem., 2015)

DOX: A new computational protocol for accurate prediction of the protein-ligand binding structures. - Li Rao 001; Bo Chi; Yanliang Ren; Yongjian Li; Xin Xu 004; Jian Wan 004 (J. Comput. Chem., 2016)

A Rational Design, Synthesis, Biological Evaluation and Structure-Activity Relationship Study of Novel Inhibitors against Cyanobacterial Fructose-1, 6-bisphosphate Aldolase. - Xinya Han; Xiuyun Zhu; Shuaihua Zhu; Lin Wei; Zongqin Hong; Li Guo; Haifeng Chen; Bo Chi; Yan Liu; Lingling Feng; Yanliang Ren; Jian Wan 004 (J. Chem. Inf. Model., 2016)

Structure-Based Rational Design of Novel Inhibitors Against Fructose-1,6-Bisphosphate Aldolase from Candida albicans. - Xinya Han; Xiuyun Zhu; Zongqin Hong; Lin Wei; Yanliang Ren; Fen Wan; Shuaihua Zhu; Hao Peng; Li Guo; Li Rao 001; Lingling Feng; Jian Wan 004 (J. Chem. Inf. Model., 2017)

Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation. - Lin Wei; Wuqiang Wen; Li Rao 001; Yunyuan Huang; Mengting Lei; Kai Liu; Saiya Hu; Rongrong Song; Yanliang Ren; Jian Wan 004 (J. Chem. Inf. Model., 2020)

DOX_BDW: Incorporating Solvation and Desolvation Effects of Cavity Water into Nonfitting Protein-Ligand Binding Affinity Prediction. - Jiaqi Liu; Jian Wan 004; Yanliang Ren; Xubo Shao; Xin Xu 004; Li Rao 001 (J. Chem. Inf. Model., 2023)