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    1.Computational study on the drug resistance mechanism of hepatitis C virus NS5B RNA-dependent RNA polymerase mutants to BMS-791325 by molecular dynamics simulation and binding free energy calculations

    Pan, DB, Niu, YZ, Xu     More...

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS[0169-7439], Published 2016, Volume 154, Pages 185-193

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 17  2022影響因子:  3.9  发表年影響因子:  2.303 

    2.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

    Pan, DB, Niu, YZ, Ni     More...

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS[0169-7439], Published 2016, Volume 156, Pages 72-80

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 10  2022影響因子:  3.9  发表年影響因子:  2.303 

    3.Revealing the molecular mechanism of different residence times of ERK2 inhibitors via binding free energy calculation and unbinding pathway analysis

    Niu, YZ, Pan, DB, Ya     More...

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS[0169-7439], Published 2016, Volume 158, Pages 91-101

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 12  2022影響因子:  3.9  发表年影響因子:  2.303 

    4.Computational study on the inhibition mechanism of a cyclic peptide MaD5 to PfMATE: Insight from molecular dynamics simulation, free energy calculation and dynamical network analysis

    Jin, XJ, Bai, QF, Xu     More...

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS[0169-7439], Published 2015, Volume 149, Pages 81-88

    收錄情况: WOS SCOPUS

    WOS核心合集引用:  2022影響因子:  3.9  发表年影響因子:  2.217 

    5.Recognition of protein folding kinetics pathways based on amino acid properties information derived from primary sequence

    Xi, LL, Li, SY, Wei,     More...

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS[0169-7439], Published 2013, Volume 126, Pages 76-82

    收錄情况: WOS SCOPUS

    WOS核心合集引用:  2022影響因子:  3.9  发表年影響因子:  2.381 

    6.Prediction of retention times of peptides in RPLC by using radial basis function neural networks and projection pursuit regression

    Du, HY, Wang, H, Zha     More...

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS[0169-7439], Published 2008, Volume 92, Issue 1, Pages 92-99

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 14  2022影響因子:  3.9  发表年影響因子:  1.940 

    7.Quantitative structure-activity relationship study of acyl ureas as inhibitors of human liver glycogen phosphorylase using least squares support vector machines

    Li, HZ, Liu, HX, Yao     More...

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS[0169-7439], Published 2007, Volume 87, Issue 2, Pages 139-146

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 29  2022影響因子:  3.9  发表年影響因子:  2.063 

    8.Radial basis function neural network-based QSPR for the prediction of critical temperature

    Yao, XJ, Wang, YW, Z     More...

    CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS[0169-7439], Published 2002, Volume 62, Issue 2, Pages 217-225

    收錄情况: WOS SCOPUS

    WOS核心合集引用: 99  2022影響因子:  3.9  发表年影響因子:  1.841 

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