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    1.Molecular dynamics simulations reveal the disruption mechanism of a 2,4-thiazolidinedione derivative C30 against tau hexapeptide (PHF6) oligomer

    Liu, HL, Zhong, HY,     More...

    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS[0887-3585], Published 2021, Volume 90, Issue 1, Pages 142-154

    收錄情况: WOS SCOPUS

    WOS核心合集引用:  2022影響因子:  2.9  发表年影響因子:  4.088 

    2.Computational study on the selective inhibition mechanism of MS402 to the first and second bromodomains of BRD4

    Wang, QQ, Li, Y, Xu,     More...

    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS[0887-3585], Published 2019, Volume 87, Issue 1, Pages 3-11

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 15  2022影響因子:  2.9  发表年影響因子:  2.828 

    3.Molecular dynamics simulation, binding free energy calculation and unbinding pathway analysis on selectivity difference between FKBP51 and FKBP52: Insight into the molecular mechanism of isoform selectivity

    Shi, DF, Bai, QF, Zh     More...

    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS[0887-3585], Published 2018, Volume 86, Issue 1, Pages 43-56

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 33  2022影響因子:  2.9  发表年影響因子:  2.501 

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