Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase. - Xin Zhang 020; Ruibo Wu; Lingchun Song; Yuchun Lin; Menghai Lin; Zexing Cao; Wei Wu 030; Yirong Mo (J. Comput. Chem., 2009)

Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD). - Xin Zhang 020; Yuan Zhao; Honggao Yan; Zexing Cao; Yirong Mo (J. Comput. Chem., 2016)