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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:44/0
 
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
View/Download:19/0
 
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:9/0
 
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;  Pan, DB;  Liu, HX;  Yao, XJ(姚小军)
View/Download:5/0
 
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:7/0
 
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:12/0
 
Two new compounds, deacetylisowortmins A and B, isolated from an endophytic Fungus, Talaromyces wortmannii LGT-4 [期刊论文]
NATURAL PRODUCT RESEARCH, 2016, 卷号: 30, 期号: 14, 页码: 1623-1627
Fu, GC;  Yang, ZD;  Zhou, SY;  Yu, HT;  Zhang, F;  Yao, XJ(姚小军)
View/Download:2/0
 
HydPred: a novel method for the identification of protein hydroxylation sites that reveals new insights into human inherited disease [期刊论文]
MOLECULAR BIOSYSTEMS, 2016, 卷号: 12, 期号: 2, 页码: 490-498
Li, SY;  Lu, J;  Li, JZ;  Chen, XM;  Yao, XJ(姚小军);  Xi, LL
View/Download:4/0
 
A two-photon off-on fluorescence probe for imaging thiols in live cells and tissues [期刊论文]
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES, 2016, 卷号: 15, 期号: 3, 页码: 412-419
Zhu, XY;  Li, Y;  Zan, WY;  Zhang, JJ;  Chen, ZJ;  Liu, XY;  Qi, FC;  Yao, XJ(姚小军);  Zhang, XY;  Zhang, HX(张海霞)
View/Download:16/0
 
Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations [期刊论文]
PLOS ONE, 2015, 卷号: 10, 期号: 12
Niu, YZ;  Pan, DB;  Shi, DF;  Bai, QF;  Liu, HX;  Yao, XJ(姚小军)
View/Download:3/0
 

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