排序方式：
1.The in silico identification of human bile salt export pump (ABCB11) inhibitors associated with cholestatic drug-induced liver injury
Xi, LL, Yao, J, Wei,
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Xi, LL, Yao, J, Wei, YH, Wu, XA, Yao, XJ, Liu, HX, Li, SY
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2017,
Volume 13,
Issue 2,
Pages 417-424
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 5
发表年影響因子:
2.759
2.Structure based in silico identification of potentially non-steroidal brassinosteroids mimics
Lei, BL, Heng, NJ, D
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Lei, BL, Heng, NJ, Dang, XX, Liu, JY, Yao, XJ, Zhang, CL
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2017,
Volume 13,
Issue 7,
Pages 1364-1369
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 8
发表年影響因子:
2.759
3.HydPred: a novel method for the identification of protein hydroxylation sites that reveals new insights into human inherited disease
Li, SY, Lu, J, Li, J
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Li, SY, Lu, J, Li, JZ, Chen, XM, Yao, XJ, Xi, LL
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2016,
Volume 12,
Issue 2,
Pages 490-498
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 8
发表年影響因子:
2.781
4.Effects of the A117V mutation on the folding and aggregation of palindromic sequences (PrP113-120) in prion: insights from replica exchange molecular dynamics simulations
Ning, LL, Wang, QQ,
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Ning, LL, Wang, QQ, Zheng, Y, Liu, HX, Yao, XJ
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2015,
Volume 11,
Issue 2,
Pages 647-655
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 9
发表年影響因子:
2.829
5.Structural and dynamic basis of acid amido synthetase GH3.1: an investigation of substrate selectivity and major active site access channels
Wang, X, Du, J, Yao,
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Wang, X, Du, J, Yao, XJ
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2015,
Volume 11,
Issue 3,
Pages 809-818
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 3
发表年影響因子:
2.829
6.pH effects on the structural dynamics of cutinase from Trichoderma reesei: insights from molecular dynamics simulations
Duan, ML, Liu, L, Du
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Duan, ML, Liu, L, Du, J, Yao, XJ
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2015,
Volume 11,
Issue 11,
Pages 3149-3155
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 4
发表年影響因子:
2.829
7.Exploration of the antagonist CP-376395 escape pathway for the corticotropin-releasing factor receptor 1 by random acceleration molecular dynamics simulations
Bai, QF, Shi, DF, Zh
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Bai, QF, Shi, DF, Zhang, Y, Liu, HX, Yao, XJ
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2014,
Volume 10,
Issue 7,
Pages 1958-1967
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 22
发表年影響因子:
3.210
8.Understanding the molecular basis of MK2-p38 alpha signaling complex assembly: insights into protein-protein interaction by molecular dynamics and free energy studies
Yang, Y, Liu, HX, Ya
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Yang, Y, Liu, HX, Yao, XJ
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2012,
Volume 8,
Issue 8,
Pages 2106-2118
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 43
发表年影響因子:
3.350
9.Understanding the effect of drug-resistant mutations of HIV-1 intasome on raltegravir action through molecular modeling study
Xue, WW, Qi, J, Yang
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Xue, WW, Qi, J, Yang, Y, Jin, XJ, Liu, HX, Yao, XJ
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2012,
Volume 8,
Issue 8,
Pages 2135-2144
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 23
发表年影響因子:
3.350
10.Understanding the structural and energetic basis of inhibitor and substrate bound to the full-length NS3/4A: insights from molecular dynamics simulation, binding free energy calculation and network analysis
Xue, WW, Wang, MX, J
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Xue, WW, Wang, MX, Jin, XJ, Liu, HX, Yao, XJ
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2012,
Volume 8,
Issue 10,
Pages 2753-2765
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 28
发表年影響因子:
3.350
11.Molecular dynamics and free energy studies on Aurora kinase A and its mutant bound with MLN8054: insight into molecular mechanism of subtype selectivity
Yang, Y, Shen, YL, L
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Yang, Y, Shen, YL, Li, SY, Jin, NZ, Liu, HX, Yao, XJ
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MOLECULAR BIOSYSTEMS[1742-206X],
Published 2012,
Volume 8,
Issue 11,
Pages 3049-3060
收錄情况：
WOS
SCOPUS
WOS核心合集引用: 24
发表年影響因子:
3.350
