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The solvent at antigen-binding site regulated C3d-CR2 interactions through the C-terminal tail of C3d at different ion strengths: insights from molecular dynamics simulation [期刊论文]
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2016, 卷号: 1860, 期号: 10, 页码: 2220-2231
Zhang, Y;  Guo, JJ;  Li, LL;  Liu, XW;  Yao, XJ(姚小军);  Liu, HX
View/Download:71/0
 
Computational Study of the Binding Mechanism of Actin-Depolymerizing Factor 1 with Actin in Arabidopsis thaliana [期刊论文]
PLOS ONE, 2016, 卷号: 11, 期号: 7
Du, J;  Wang, X;  Dong, CH;  Yang, JM;  Yao, XJ(姚小军)
View/Download:41/0
 
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:31/0
 
Exploring the Inhibitory Mechanism of Approved Selective Norepinephrine Reuptake Inhibitors and Reboxetine Enantiomers by Molecular Dynamics Study [期刊论文]
SCIENTIFIC REPORTS, 2016, 卷号: 6
Zheng, GX;  Xue, WW;  Wang, PP;  Yang, FY;  Li, B;  Li, XF;  Li, YH;  Yao, XJ(姚小军);  Zhu, F
View/Download:43/0
 
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;  Yao, XJ(姚小军);  Zhu, Y
View/Download:15/0
 
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:7/0
 
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:3/0
 
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:11/0
 
Electric-field and strain-tunable electronic properties of MoS2/h-BN/graphene vertical heterostructures [期刊论文]
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 卷号: 18, 期号: 4, 页码: 3159-3164
Zan, WY;  Geng, W;  Liu, HX;  Yao, XJ(姚小军)
View/Download:3/0
 

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