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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:84/0
 
Computational study on the binding and unbinding mechanism of HCV NS5B with the inhibitor GS-461203 and substrate using conventional and steered molecular dynamics simulations [期刊论文]
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2016, 卷号: 156, 页码: 72-80
Pan, DB;  Niu, YZ;  Ning, LL;  Zhang, Y;  Liu, HX;  Yao, XJ(姚小军)
View/Download:62/0
 
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:44/0
 
Electronic properties of MoS2 on monolayer, bilayer and bulk SiC: A density functional theory study [期刊论文]
JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 卷号: 666, 页码: 204-208
Zan, WY;  Geng, W;  Liu, HX;  Yao, XJ(姚小军)
View/Download:46/0
 
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
 
Field emission properties of two-dimensional VS2-ZnO composites: A density functional theory study [期刊论文]
JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 卷号: 658, 页码: 152-156
Zan, WY;  Geng, W;  Liu, HX;  Yao, XJ(姚小军)
View/Download:4/0
 
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:4/0
 
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
 

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