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1 . Academic Journal
Refined models of coordination between Al3+/Mg2+ and enzyme in molecular dynamics simulation in terms of ABEEM polarizable force field
저자
by
Lu, Li-Nan
;
Liu, Cui
;
Yang, Zhong-Zhi
;
Zhao, Dong-Xia
.
소스
In
Journal of Molecular Graphics and Modelling
July 2022 114
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6 . Academic Journal
Origin of Enantioselectivity in Engineered Cytochrome c‑Catalyzed Carbon-Radical FePP Hydrolysis Revealed Using QM/MM (ABEEM Polarizable Force Field) and MD Simulations.
저자
by
Huang, Hong
;
Zhao, Dong-Xia
;
Zhao, Jian
;
Chen, Xin
;
Liu, Cui
, et al.
소스
Journal of Physical Chemistry C; 4/25/2024, Vol. 128 Issue 16, p3807-3823, 17p
Full Text (ACS)
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7 . Academic Journal
Bimetallic PtPd alloyed core-shell nanodendrites supported on reduced graphene oxide: One-pot green synthesis and efficient electrocatalytic performances for glycerol oxidation and hydrogen evolution
저자
by
Yang, Zhong-Zhi
;
Lin, Xiao-Xiao
;
Zhang, Xiao-Fang
;
Wang, Ai-Jun
;
Zhu, Xiao-Yan
, et al.
소스
In
Journal of Alloys and Compounds
25 February 2018 735:2123-2132
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7 . Academic Journal
Cytosine assisted aqueous synthesis of AgPt hollow alloyed nanostructures as highly active electrocatalyst for ethylene glycol oxidation and hydrogen evolution
저자
by
Shao, Fang-Qi
;
Feng, Jiu-Ju
;
Yang, Zhong-Zhi
;
Chen, Sai-Sai
;
Yuan, Junhua
, et al.
소스
In
International Journal of Hydrogen Energy
28 September 2017 42(39):24767-24775
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7 . Academic Journal
Fast calculation of molecular total energy with ABEEMσπ/MM method – For some series of organic molecules and peptides
저자
by
Yang, Zhong-Zhi
;
Lin, Xiao-Ting
;
Zhao, Dong-Xia
.
소스
In
Chemical Physics
15 June 2016 472:24-35
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5 . Academic Journal
A theoretical study on mechanism of the anticancer drug camptothecin's E-ring-opening
저자
by
Zou, Hui-Yuan
;
Zhao, Dong-Xia
;
Yang, Zhong-Zhi
.
소스
In
Journal of Molecular Graphics and Modelling
June 2013 43:58-65
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5 . Academic Journal
Development of a method to accurately calculate the Dpb and quickly predict the strength of a chemical bond
저자
by
Du, Xia
;
Zhao, Dong-Xia
;
Yang, Zhong-Zhi
.
소스
In
Chemical Physics
1 February 2013 412:84-91
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5 . Academic Journal
Studies of a mispaired DNA recognized by a rhodium intercalator based on the ABEEM σπ/MM method
저자
by
Wang, Fang-Fang
;
Zhao, Dong-Xia
;
Yang, Zhong-Zhi
;
Jiao, Yong
;
Yang, Pin
.
소스
In
Computational and Theoretical Chemistry
2011 970(1):36-41
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7 . Academic Journal
Theoretical study of hydrogen peroxide interacting with DNA base and DNA base pair in terms of ab initio method and ABEEMσπ/MM fluctuating charge potential model
저자
by
Yu, Chun-Yang
;
Yang, Zhong-Zhi
.
소스
In
Computational and Theoretical Chemistry
2011 967(1):26-36
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4 . Academic Journal
Evidence of direct formation of C8 adducts in carcinogenic reactions of arylnitrenium ions with purine nucleosides: Theoretical study of C8 deprotonation process
저자
by
Qi, Shi-Fei
;
Wang, Xiao-Nan
;
Yang, Zhong-Zhi
;
Xu, Xiao-Hong
.
소스
In
Computational and Theoretical Chemistry
2011 965(1):84-91
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