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    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,     More...

    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:  2021影響因子:  3.336  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     More...

    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:  2021影響因子:  3.336  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     More...

    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:  2021影響因子:  3.336  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,     More...

    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:  2021影響因子:  3.336  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,     More...

    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:  2021影響因子:  3.336  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     More...

    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:  2021影響因子:  3.336  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     More...

    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: 21  2021影響因子:  3.336  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     More...

    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: 42  2021影響因子:  3.336  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     More...

    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: 22  2021影響因子:  3.336  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     More...

    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: 27  2021影響因子:  3.336  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     More...

    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: 22  2021影響因子:  3.336  发表年影響因子:  3.350 

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