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中国科学院青岛生物能源与过程研究所机构知识库
KMS Qingdao Institute of Biomass Energy and Bioprocess Technology ,CAS
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Solvent effect on hydrogen bonded Tyr...Asp...Arg triads: Enzymatic catalyzed model system
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2016, 卷号: 65, 页码: 140-147
Authors:
Yan, Shihai
;
Yao, Lishan
;
Kang, Baotao
;
Lee, Jin Yong
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Submit date:2017/03/22
Solvent Effect
Electronic Effect
Electron Transfer
Proton Transfer
Spin-spin Coupling Constant
DFT application in conformational determination of cellobiose
期刊论文
CARBOHYDRATE RESEARCH, 2015, 卷号: 404, 页码: 117-123
Authors:
Yan, Shihai
;
Yao, Lishan
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Submit date:2015/11/02
Cellobiose
Chemical Shift
Dft
Potential Energy Surface
Dihedral Angle
Protein Apparent Dielectric Constant and Its Temperature Dependence from Remote Chemical Shift Effects
期刊论文
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2014, 卷号: 136, 期号: 37, 页码: 12816-12819
Authors:
An, Liaoyuan
;
Wang, Yefei
;
Zhang, Ning
;
Yan, Shihai
;
Bax, Ad
;
Yao, Lishan
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Submit date:2015/11/02
The morphology transformation from helical nanofiber to helical nanotube in a diarylethene self-assembly system
期刊论文
CHEMICAL COMMUNICATIONS, 2014, 卷号: 50, 期号: 61, 页码: 8335-8338
Authors:
Duan, Yulong
;
Yan, Shihai
;
Zhou, Xinhong
;
Xu, Wei
;
Xu, Hongxia
;
Liu, Zhihong
;
Zhang, Lixue
;
Zhang, Chuanjian
;
Cui, Guanglei
;
Yao, Lishan
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Submit date:2015/11/02
A Highly Efficient Synthesis of Optically Active Ferrocenylethylamines via Hydride Reduction of Chiral Ferrocenylketimines
期刊论文
CHINESE JOURNAL OF CHEMISTRY, 2013, 卷号: 31, 期号: 8, 页码: 992-996
Authors:
Qian, Hengyu
;
Yan, Shihai
;
Cui, Xiuling
;
Pi, Chao
;
Liu, Cheng
;
Wu, Yangjie
Adobe PDF(889Kb)
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Submit date:2015/11/02
Chiral
Reduction
Ferrocenylketimine
Diastereoselectivity
Ferrocenylethylamine
A Mechanistic Study of Trichoderma reesei Cel7B Catalyzed Glycosidic Bond Cleavage
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 29, 页码: 8714-8722
Authors:
Zhang, Yu
;
Yan, Shihai
;
Yao, Lishan
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Submit date:2014/03/21
Mechanism of the Humicola insolens Cel7B E197S mutant catalyzed flavonoid glycosides synthesis: a QM/MM metadynamics simulation study
期刊论文
THEORETICAL CHEMISTRY ACCOUNTS, 2013, 卷号: 132, 期号: 6, 页码: 1-10
Authors:
Zhang, Yu
;
Yan, Shihai
;
Yao, Lishan
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Submit date:2014/03/21
Glycosynthase
Catalytic Mechanism
Free Energy Surface
Qm/mm Metadynamics
Molecular Dynamics
Electrochemical Properties and Regioselectivity of Cyclopalladation of Chiral Ferrocenylimines Deriving from (S)-Ferrocenylethylamine
期刊论文
AUSTRALIAN JOURNAL OF CHEMISTRY, 2013, 卷号: 66, 期号: 2, 页码: 218-226
Authors:
Yin, Zhigang
;
Qian, Hengyu
;
Wang, Quanling
;
Dong, Huichao
;
Yan, Shihai
;
Zhang, Chunxia
;
Li, Junhua
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Submit date:2014/03/21
The impact of Trichoderma reesei Cel7A carbohydrate binding domain mutations on its binding to a cellulose surface: a molecular dynamics free energy study
期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 4, 页码: 1355-1364
Authors:
Li, Tong
;
Yan, Shihai
;
Yao, Lishan
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Submit date:2015/11/02
Cellobiohydrolase
Cellulose
Thermodynamic Integration
Molecular Dynamics
Free Energy
Theoretical Study on Proton Transfer of 2-[(4-Chlorophenylimino)methyl]-8-hydroxyquinoline
期刊论文
ACTA CHIMICA SINICA, 2011, 卷号: 69, 期号: 15, 页码: 1743-1750
Authors:
Yang Guohui
;
Li Yanxin
;
Yan Shihai
;
Dai Li
;
Zhao Bin
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Submit date:2015/11/02
2-[(4-chlorophenylimino)Methyl]-8-hydroxyquinoline
Proton Transfer
Transition State
Hydrogen Bond
Activation Energy