1.A Sequence-Based Computational Model for the Prediction of the Solvent Accessible Surface Area for alpha-Helix and beta-Barrel Transmembrane Residues

Wang, CQ, Xi, LL, Li     More...

Wang, CQ, Xi, LL, Li, SY, Liu, HX, Yao, XJ     Less

JOURNAL OF COMPUTATIONAL CHEMISTRY[0192-8651], Published 2012, Volume 33, Issue 1, Pages 11-17

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WOS核心合集引用: 4  2022影響因子:  3.0  发表年影響因子:  3.835 

2.Molecular mechanism of HIV-1 integrase-vDNA interactions and strand transfer inhibitor action: A molecular modeling perspective

Xue, WW, Liu, HX, Ya     More...

Xue, WW, Liu, HX, Yao, XJ     Less

JOURNAL OF COMPUTATIONAL CHEMISTRY[0192-8651], Published 2012, Volume 33, Issue 5, Pages 527-536

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WOS核心合集引用: 33  2022影響因子:  3.0  发表年影響因子:  3.835 

3.In silico Prediction of Deleterious Single Amino Acid Polymorphisms from Amino Acid Sequence

Li, SY, Xi, LL, Li,     More...

Li, SY, Xi, LL, Li, JZ, Wang, CQ, Lei, BL, Shen, YL, Liu, HX, Yao, XJ, Li, BA     Less

JOURNAL OF COMPUTATIONAL CHEMISTRY[0192-8651], Published 2011, Volume 32, Issue 7, Pages 1211-1216

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WOS核心合集引用: 3  2022影響因子:  3.0  发表年影響因子:  4.583 

4.Molecular Modeling Study of Checkpoint Kinase 1 Inhibitors by Multiple Docking Strategies and Prime/MM-GBSA Calculation

Du, J, Sun, HJ, Xi,     More...

Du, J, Sun, HJ, Xi, LL, Li, JZ, Yang, Y, Liu, HX, Yao, XJ     Less

JOURNAL OF COMPUTATIONAL CHEMISTRY[0192-8651], Published 2011, Volume 32, Issue 13, Pages 2800-2809

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WOS核心合集引用: 117  2022影響因子:  3.0  发表年影響因子:  4.583 

5.A Combined Molecular Modeling Study on Gelatinases and Their Potent Inhibitors

Xi, LL, Du, J, Li, S     More...

Xi, LL, Du, J, Li, SY, Li, JZ, Liu, HX, Yao, XJ     Less

JOURNAL OF COMPUTATIONAL CHEMISTRY[0192-8651], Published 2010, Volume 31, Issue 1, Pages 24-42

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WOS核心合集引用: 16  2022影響因子:  3.0  发表年影響因子:  4.050 

6.A New Strategy to Improve the Predictive Ability of the Local Lazy Regression and Its Application to the QSAR Study of Melanin-Concentrating Hormone Receptor 1 Antagonists

Li, JZ, Li, SY, Lei,     More...

Li, JZ, Li, SY, Lei, BL, Liu, HX, Yao, XJ, Liu, MC, Gramatica, P     Less

JOURNAL OF COMPUTATIONAL CHEMISTRY[0192-8651], Published 2010, Volume 31, Issue 5, Pages 973-985

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WOS核心合集引用: 6  2022影響因子:  3.0  发表年影響因子:  4.050 

7.Structure-Based Quantitative Structure-Activity Relationship Studies of Checkpoint Kinase 1 Inhibitors

Du, JA, Xi, LL, Lei,     More...

Du, JA, Xi, LL, Lei, BL, Lu, J, Li, JZ, Liu, HX, Yao, XJ     Less

JOURNAL OF COMPUTATIONAL CHEMISTRY[0192-8651], Published 2010, Volume 31, Issue 15, Pages 2783-2793

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WOS核心合集引用: 5  2022影響因子:  3.0  发表年影響因子:  4.050 

8.A Novel Method for Protein-Ligand Binding Affinity Prediction and the Related Descriptors Exploration

Li, SY, Xi, LL, Wang     More...

Li, SY, Xi, LL, Wang, CQ, Li, JZ, Lei, BL, Liu, HX, Yao, XJ     Less

JOURNAL OF COMPUTATIONAL CHEMISTRY[0192-8651], Published 2009, Volume 30, Issue 6, Pages 900-909

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WOS核心合集引用: 18  2022影響因子:  3.0  发表年影響因子:  3.769 

9.QSAR Study of Malonyl-CoA Decarboxylase Inhibitors Using GA-MLR and a New Strategy of Consensus Modeling

Li, JZ, Lei, RL, Liu     More...

Li, JZ, Lei, RL, Liu, HX, Li, SY, Yao, XJ, Liu, MC, Gramatica, P     Less

JOURNAL OF COMPUTATIONAL CHEMISTRY[0192-8651], Published 2008, Volume 29, Issue 16, Pages 2636-2647

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WOS核心合集引用: 48  2022影響因子:  3.0  发表年影響因子:  3.390