Zexing Cao - researchr alias

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Viewing Publication 1 - 9 from 9

2019

Computational insight into excited states of the ring-opening radicals from the pyrolysis of furan biofuelsYuanyuan Li, Yanzhen Gan, Zexing Cao. jcc, 40(9):1057-1065, 2019. [doi]

EditorialYirong Mo, Wei Wu, Zexing Cao. jcc, 40(9):965, 2019. [doi]

2017

Performance Comparison of Systematic Methods for Rigorous Definition of Coarse-Grained Sites of Large BiomoleculesYuwei Zhang, Zexing Cao, John Zenghui Zhang, Fei Xia. jcisd, 57(2):214-222, 2017. [doi]

2016

Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD)Xin Zhang, Yuan Zhao, Honggao Yan, Zexing Cao, Yirong Mo. jcc, 37(13):1163-1174, 2016. [doi]

2013

2 in water solution: Insight from the cluster-continuum model calculationsBinju Wang, Zexing Cao. jcc, 34(5):372-378, 2013. [doi]

2009

Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesteraseXin Zhang, Ruibo Wu, Lingchun Song, Yuchun Lin, Menghai Lin, Zexing Cao, Wei Wu, Yirong Mo. jcc, 30(15):2388-2401, 2009. [doi]

2008

QM/MM study of catalytic methyl transfer by the ::::N:::::::5:::-glutamine SAM-dependent methyltransferase and its inhibition by the nitrogen analogue of coenzymeRuibo Wu, Zexing Cao. jcc, 29(3):350-357, 2008. [doi]

Effects of electron attachment on C::5 ::-O::5 :: and C::1 ::-N::1:: bond cleavages of pyrimidine nucleotides: A theoretical studyHujun Xie, Ruibo Wu, Fei Xia, Zexing Cao. jcc, 29(12):2025-2032, 2008. [doi]

2005

Computational analyses of singlet-singlet and singlet-triplet transitions in mononuclear gold-capped carbon-rich conjugated complexesZexing Cao, Qianer Zhang. jcc, 26(12):1214-1221, 2005. [doi]

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