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    1.Long-Timescale Simulations Revealed Critical Non-Conserved Residues of Phosphodiesterases Affecting Selectivity of BAY60-7550

    Liu, Q, Song, MH, Qi     More...

    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370], Published 2022, Volume 20, Pages 5136-5149

    收錄情况: WOS

    2022影響因子:  6.0  发表年影響因子:  6.0 

    2.Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations

    An, XL, Bai, QF, Bin     More...

    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370], Published 2021, Volume 19, Pages 3978-3989

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 15  2022影響因子:  6.0  发表年影響因子:  6.155 

    3.Discovery of pentapeptide-inhibitor hits targeting FKBP51 by combining computational modeling and X-ray crystallography

    Han, JT, Zhu, YC, Pa     More...

    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370], Published 2021, Volume 19, Pages 4079-4091

    收錄情况: WOS SCOPUS

    WOS核心合集引用:  2022影響因子:  6.0  发表年影響因子:  6.155 

    4.In silico study of intrinsic dynamics of full-length apo-ACE2 and RBD-ACE2 complex

    Liu, Q, Wang, YW, Le     More...

    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370], Published 2021, Volume 19, Pages 5455-5465

    收錄情况: WOS SCOPUS

    WOS核心合集引用:  2022影響因子:  6.0  发表年影響因子:  6.155 

    5.WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithm

    Bai, QF, Ma, J, Liu,     More...

    COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL[2001-0370], Published 2021, Volume 19, Pages 3573-3579

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 12  2022影響因子:  6.0  发表年影響因子:  6.155 

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