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Journal Articles
- 2022
[j9]Cui Liu
, Yang Ren, Xiao-qin Gao, Xue Du, Zhong-Zhi Yang:
Development of QM/MM (ABEEM polarizable force field) method to simulate the excision reaction mechanism of damaged cytosine. J. Comput. Chem. 43(32): 2139-2153 (2022)- 2019
- [j8]Hui Li, Di Wang, Xin Zhao, Li-Nan Lu, Cui Liu, Li-Dong Gong, Dong-Xia Zhao, Zhong-Zhi Yang:
Reaction mechanism of NO with hydrolysates of NAMI-A: an MD simulation by combining the QM/MM(ABEEM) with the MD-FEP method. J. Comput. Chem. 40(10): 1141-1150 (2019) - 2014
- [j7]Dong-Xia Zhao, Zhong-Zhi Yang:
Investigation of the distinction between van der Waals interaction and chemical bonding based on the PAEM-MO diagram. J. Comput. Chem. 35(13): 965-977 (2014) - [j6]Zhong-Zhi Yang, Jian-Jiang Wang, Dong-Xia Zhao:
Valence state parameters of all transition metal atoms in metalloproteins - development of ABEEMσπ fluctuating charge force field. J. Comput. Chem. 35(23): 1690-1706 (2014) - 2012
- [j5]Cui Liu, Dong-Xia Zhao, Zhong-Zhi Yang:
Direct evaluation of individual hydrogen bond energy in situ in intra- and intermolecular multiple hydrogen bonds system. J. Comput. Chem. 33(4): 379-390 (2012) - 2011
- [j4]Shu-Ling Chen, Dong-Xia Zhao, Zhong-Zhi Yang:
An estimation method of binding free energy in terms of ABEEMsigmapi/MM and continuum electrostatics fused into LIE method. J. Comput. Chem. 32(2): 338-348 (2011) - 2010
- [j3]Li-Dong Gong, Zhong-Zhi Yang:
Investigation of the molecular surface area and volume: Defined and calculated by the molecular face theory. J. Comput. Chem. 31(11): 2098-2108 (2010) - 2006
- [j2]Zhong-Zhi Yang, Qiang Zhang:
Study of peptide conformation in terms of the ABEEM/MM method. J. Comput. Chem. 27(1): 1-10 (2006) - 2005
- [j1]Zhong-Zhi Yang, Li-Dong Gong, Dong-Xia Zhao, Ming-Bo Zhang:
Method and algorithm of obtaining the molecular intrinsic characteristic contours (MICCs) of organic molecules. J. Comput. Chem. 26(1): 35-47 (2005)
Coauthor Index
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