1.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...

Li, HZ, Liu, HX, Yao, XJ, Liu, MC, Hu, ZD, Fan, BT     Less

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  2024影響因子:  3.8  发表年影響因子:  2.063 

2.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...

Du, HY, Wang, H, Zhang, XY, Yao, XJ, Hu, Z     Less

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

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WOS核心合集引用: 15  2024影響因子:  3.8  发表年影響因子:  1.940 

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

Xi, LL, Li, SY, Wei,     More...

Xi, LL, Li, SY, Wei, YH, Wu, XA, Liu, HX, Yao, XJ     Less

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

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WOS核心合集引用: 3  2024影響因子:  3.8  发表年影響因子:  2.381 

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...

Jin, XJ, Bai, QF, Xue, WW, Liu, HX, Yao, XJ     Less

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: 2  2024影響因子:  3.8  发表年影響因子:  2.217 

5.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...

Pan, DB, Niu, YZ, Xue, WW, Bai, QF, Liu, HX, Yao, XJ     Less

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

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WOS核心合集引用: 19  2024影響因子:  3.8  发表年影響因子:  2.303 

6.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...

Pan, DB, Niu, YZ, Ning, LL, Zhang, Y, Liu, HX, Yao, XJ     Less

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

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WOS核心合集引用: 12  2024影響因子:  3.8  发表年影響因子:  2.303 

7.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...

Niu, YZ, Pan, DB, Yang, YJ, Liu, HX, Yao, XJ     Less

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

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WOS核心合集引用: 12  2024影響因子:  3.8  发表年影響因子:  2.303 

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

Yao, XJ, Wang, YW, Z     More...

Yao, XJ, Wang, YW, Zhang, XY, Zhang, RS, Liu, MC, Hu, ZD, Fan, BT     Less

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

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WOS核心合集引用: 102  2024影響因子:  3.8  发表年影響因子:  1.841