Homology modeling and molecular dynamics simulation of N-myristoyltransferase from protozoan parasites: active site characterization and insights into rational inhibitor design. - Chunquan Sheng; Haitao Ji; Zhenyuan Miao; Xiaoyin Che; Jianzhong Yao; Wenya Wang; Guoqiang Dong; Wei Guo; Jiaguo Lü; Wannian Zhang (J. Comput. Aided Mol. Des., 2009)

Discovery of novel human acrosin inhibitors by virtual screening. - Xuefei Liu; Guoqiang Dong; Jue Zhang; Jingjing Qi; Canhui Zheng; Youjun Zhou; Ju Zhu; Chunquan Sheng; Jiaguo Lü (J. Comput. Aided Mol. Des., 2011)

Unraveling allosteric landscapes of allosterome with ASD. - Xinyi Liu 003; Shaoyong Lu; Kun Song 003; Qiancheng Shen; Duan Ni; Qian Li; Xinheng He; Hao Zhang; Qi Wang; Yingyi Chen; Xinyi Li; Jing Wu; et al. (Nucleic Acids Res., 2020)