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Journal Articles
- 2019
[j9]Yirong Mo, Wei Wu, Zexing Cao:
Editorial. J. Comput. Chem. 40(9): 965 (2019)- [j8]Yuanyuan Li, Yanzhen Gan, Zexing Cao
:
Computational insight into excited states of the ring-opening radicals from the pyrolysis of furan biofuels. J. Comput. Chem. 40(9): 1057-1065 (2019) - 2017
- [j7]Yuwei Zhang, Zexing Cao, John Zenghui Zhang, Fei Xia:
Performance Comparison of Systematic Methods for Rigorous Definition of Coarse-Grained Sites of Large Biomolecules. J. Chem. Inf. Model. 57(2): 214-222 (2017) - 2016
- [j6]Xin Zhang, Yuan Zhao, Honggao Yan, Zexing Cao, Yirong Mo:
Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD). J. Comput. Chem. 37(13): 1163-1174 (2016) - 2013
- [j5]Binju Wang, Zexing Cao:
How water molecules modulate the hydration of CO2 in water solution: Insight from the cluster-continuum model calculations. J. Comput. Chem. 34(5): 372-378 (2013) - 2009
- [j4]Xin Zhang, Ruibo Wu, Lingchun Song, Yuchun Lin, Menghai Lin, Zexing Cao, Wei Wu, Yirong Mo:
Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase. J. Comput. Chem. 30(15): 2388-2401 (2009) - 2008
- [j3]Ruibo Wu, Zexing Cao:
QM/MM study of catalytic methyl transfer by the N5-glutamine SAM-dependent methyltransferase and its inhibition by the nitrogen analogue of coenzyme. J. Comput. Chem. 29(3): 350-357 (2008) - [j2]Hujun Xie, Ruibo Wu, Fei Xia, Zexing Cao:
Effects of electron attachment on C5'-O5' and C1'-N1 bond cleavages of pyrimidine nucleotides: A theoretical study. J. Comput. Chem. 29(12): 2025-2032 (2008) - 2005
- [j1]Zexing Cao, Qianer Zhang:
Computational analyses of singlet-singlet and singlet-triplet transitions in mononuclear gold-capped carbon-rich conjugated complexes. J. Comput. Chem. 26(12): 1214-1221 (2005)
Coauthor Index
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