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Direct dynamics study on hydrogen abstraction reaction of morpholine with hydroxyl radical [期刊论文]
THEORETICAL CHEMISTRY ACCOUNTS, 2015, 卷号: 134, 期号: 8
Gao, H(高红);  Wang, MM;  Jin, TY;  Shi, J;  Yao, XJ(姚小军);  Jin, NZ
View/Download:4/0
 
Effects of the Pathogenic Mutation A117V and the Protective Mutation H111S on the Folding and Aggregation of PrP106-126: Insights from Replica Exchange Molecular Dynamics Simulations [期刊论文]
PLOS ONE, 2015, 卷号: 10, 期号: 5
Ning, LL;  Pan, DB;  Zhang, Y;  Wang, SP;  Liu, HX;  Yao, XJ(姚小军)
View/Download:2/0
 
The Molecular Mechanism of Bisphenol A (BPA) as an Endocrine Disruptor by Interacting with Nuclear Receptors: Insights from Molecular Dynamics (MD) Simulations [期刊论文]
PLOS ONE, 2015, 卷号: 10, 期号: 3
Li, LL;  Wang, QQ;  Zhang, Y;  Niu, YZ;  Yao, XJ(姚小军);  Liu, HX
View/Download:5/0
 
HBT-based chemosensors for the detection of fluoride through deprotonation process: experimental and DFT studies [期刊论文]
RSC ADVANCES, 2015, 卷号: 5, 期号: 26, 页码: 19983-19988
Liu, SD;  Zhang, LW;  Zhou, PP(周盼盼);  Zan, WY;  Yao, XJ(姚小军);  Yang, JJ;  Yang, Y
View/Download:50/0
 
Understanding the recognition mechanisms of Z alpha domain of human editing enzyme ADAR1 (hZ alpha(ADAR1)) and various Z-DNAs from molecular dynamics simulation [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 11, 页码: -
Wang, QQ;  Li, LL;  Wang, XT;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:65/1
 
A coumarin-derived fluorescent chemosensor for selectively detecting Cu2+ : Synthesis, DFT calculations and cell imaging applications [期刊论文]
TALANTA, 2014, 卷号: 124, 页码: 139-145
Chen, FJ(陈凤娟);  Liu, GZ;  Shi, YJ;  Xi, PX(席聘贤);  Cheng, J;  Hong, JP;  Shen, R;  Yao, XJ(姚小军);  Bai, DC(白德成);  Zeng, ZZ
  |  View/Download:404/2
 
The role of Cys179-Cys214 disulfide bond in the stability and folding of prion protein: insights from molecular dynamics simulations [期刊论文]
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 2
Ning, LL;  Guo, JJ;  Jin, NZ;  Liu, HX;  Yao, XJ(姚小军)
  |  View/Download:48/0
 
Stabilities and structures of islet amyloid polypeptide (IAPP(22-28)) oligomers: From dimer to 16-mer [期刊论文]
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2014, 卷号: 1840, 期号: 1, 页码: 357-366
Guo, JJ;  Zhang, Y;  Ning, LL;  Jiao, PZ;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
  |  View/Download:166/0
 
A rhodamine B-based "turn-on" fluorescent sensor for detecting Cu2+ and sulfur anions in aqueous media [期刊论文]
RSC ADVANCES, 2014, 卷号: 4, 期号: 11
Guo, D;  Dong, ZP(董正平);  Luo, C;  Zan, WY;  Yan, SQ;  Yao, XJ(姚小军)
  |  View/Download:44/0
 
Synthesis, Biological Activity Evaluation and Molecular Modeling Study on the New Isoconessimine Derivatives as Acetylcholinesterase Inhibitors [期刊论文]
CHINESE JOURNAL OF CHEMISTRY, 2013, 卷号: 31, 期号: 9
Jin, GF;  Yang, ZD;  Xue, WW;  Sheng, J;  Shi, Y;  Yao, XJ(姚小军)
  |  View/Download:31/0
 

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