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Molecular basis of P450 OleT(JE): an investigation of substrate binding mechanism and major pathways [期刊论文]
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2017, 卷号: 31, 期号: 5, 页码: 483-495
Du, J;  Liu, L;  Guo, LZ;  Yao, XJ(姚小军);  Yang, JM
View/Download:32/0
 
Chiral separation and absolute configurations of two pairs of racemic polyprenylated benzophenones from Hypericum sampsonii [期刊论文]
FITOTERAPIA, 2017, 卷号: 116, 页码: 39-44
Tian, WJ;  Qiu, YQ;  Chen, HF;  Jin, XJ;  Yao, XJ(姚小军);  Dai, Y;  Yao, XS
View/Download:66/0
 
The characterization of 1-(4-bromophenyl)-5-phenyl-1H-1,2,3-triazole on acute toxicity, antimicrobial activities, photophysical property, and binding to two globular proteins [期刊论文]
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY B-BIOLOGY, 2016, 卷号: 164, 页码: 191-203
Liu, H;  Lin, Q;  Xie, YX;  Shu, HM;  Li, B;  Gao, G;  Xiao, K;  Yao, XJ(姚小军);  Dong, RC;  Liu, YL;  He, MX;  Wu, LY;  Sun, ZF;  He, WY
View/Download:52/0
 
Colletotrilactam A-D, novel lactams from Colletotrichum gloeosporioides GT-7, a fungal endophyte of Uncaria rhynchophylla [期刊论文]
FITOTERAPIA, 2016, 卷号: 113, 页码: 158-163
Wei, B;  Yang, ZD;  Chen, XW;  Zhou, SY;  Yu, HT;  Sun, JY;  Yao, XJ(姚小军);  Wang, YG;  Xue, HY
View/Download:55/0
 
Insights into conformational regulation of PfMATE transporter from Pyrococcus furiosus induced by alternating protonation state of Asp41 residue: A molecular dynamics simulation study [期刊论文]
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2016, 卷号: 1860, 期号: 6, 页码: 1173-1180
Jin, XJ;  Shao, YH;  Bai, QF;  Xue, WW;  Liu, HX;  Yao, XJ(姚小军)
View/Download:72/0
 
Sesquiterpenoids and tirucallane triterpenoids from the roots of Scorzonera divaricata [期刊论文]
PHYTOCHEMISTRY, 2016, 卷号: 124, 页码: 86-98
Yang, YJ;  Yao, J;  Jin, XJ;  Shi, ZN;  Shen, TF;  Fang, JG(房建国);  Yao, XJ(姚小军);  Zhu, Y(祝英)
View/Download:44/0
 
Protective V127 prion variant prevents prion disease by interrupting the formation of dimer and fibril from molecular dynamics simulations [期刊论文]
SCIENTIFIC REPORTS, 2016, 卷号: 6
Zhou, SY;  Shi, DF;  Liu, XW;  Liu, HX;  Yao, XJ(姚小军)
View/Download:15/0
 
Computational study on the unbinding pathways of B-RAF inhibitors and its implication for the difference of residence time: insight from random acceleration and steered molecular dynamics simulations [期刊论文]
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 7, 页码: 5622-5629
Niu, YZ;  Li, SY(李书艳);  Pan, DB;  Liu, HX;  Yao, XJ(姚小军)
View/Download:20/0
 
Investigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysis [期刊论文]
SCIENTIFIC REPORTS, 2016, 卷号: 6
Bai, QF;  Yao, XJ(姚小军)
View/Download:11/0
 
Identification of the inhibitory mechanism of FDA approved selective serotonin reuptake inhibitors: an insight from molecular dynamics simulation study [期刊论文]
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 4, 页码: 3260-3271
Xue, WW;  Wang, PP;  Li, B;  Li, YH;  Xu, XF;  Yang, FY;  Yao, XJ(姚小军);  Chen, YZ;  Xu, F;  Zhu, F
View/Download:20/0
 

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