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Books  Reviews  2009  2008  2007  2006  2005  2004  2003  

2002  2001  2000  1999 and before  others

(Declaration: Copyrights of the following papers are owned by the respective journals!)

Book chapters

117. Molecular Conceptor courseware, Synergix Ltd. 2008. (contributing the chapter: introduction to chemoinformatics).
(http://www.drugdesign.com/web/contributors/expert_authors)

116. Tingjun Hou
, Xu Xiaojie, Recent development and application of virtual screening in drug discovery: An Overview. in Frontier in Medicinal Chemistry, Bentham Science Publishers, Vol 3, 2006, 675-703.

115. Xu Luo, "Chemical statistics", Science Publisher, 2002. (Chapter 16)

114. Xiaojie Xu, Tingjun Hou, Xuebin Qiao, Wei Zhang, "Computer-aided drug design: principle, methods and applications", Chemical Industrial Publisher, 2004. (Chapters 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16)

Reviews

113. Youyong Li, Tingjun Hou, William A. Goddard III, Molecular modeling of structure-function of G protein-coupled receptors with applications for drug design, Current Medicinal Chemistry, 2009, (invited review, in preparation)

112. Tingjun Hou, Junmei Wang, Structure – ADME relationship: still a long way to go? Expert Opinion on Drug Metabolism and Toxicology, 2008, 4, 759-771. [PDF]

111. Tingjun Hou, Youyong Li, Wei Zhang, Junmei Wang, In silico predictions of intestinal absorption and bioavailability, Combinatorial Chemistry & High Throughput Screening, 2009, (invited review, in press).

110. Tingjun Hou, Junmei Wang, Wei Zhang, Wei Wang, Xiaojie Xu, Recent advances in computational prediction of drug absorption and permeability in drug discovery, Current Medicinal Chemistry, 2006, 13, 2653-2667. [PDF]

109. Junmei Wang, Tingjun Hou, Xiaojie Xu, Recent advances in free energy calculations with a combination of molecular mechanics and continuum models, Current Computer-Aided Drug Design, 2006, 2, 287-306. [PDF]

108. Tingjun Hou, Xiaojie Xu, Recent development and application of virtual screening in drug discovery: An overview, Current Pharmaceutical Design, 2004, 10, 1011-1033. [PDF]

2009

107. Tingjun Hou, Zheng Xu, Wei Zhang, William A. McLaughlin, David A. Case, Yang Xu, Wei Wang, Characterization of domain-peptide interaction interface: a generic structure-based model to decipher the binding specificity of SH3 domains, Molecular & Cellular Proteomics, 2009, (in press). [HTML] [PDF]

2008

106. Tingjun Hou, Wei Zhang, Jiang Wang, Wei Wang, The prediction of HIV-1 protease drug resistance by analyzing the protease/drug decompsed interaction energy components, Proteins: Structure, Function, and Bioinformatics, 2008, (accepted).

105.Tingjun Hou, Wei Zhang, David Case, Wei Wang, Characterization of domain-peptide interaction interface: A case study on the amphiphysis-1 SH3 domain, Journal of Molecular Biology, 2008, 376, 1201-1214. [HTML] [PDF]

104. Tingjun Hou, William McLaughlin, Wei Wang, Evaluating the potency of HIV-1 protease drugs to combat resistance, Proteins: Structure, Function, and Bioinformatics, 2008, (In press). [HTML]

2007

103. William McLaughlin, Ken Chen, Tingjun Hou, Wei Wang, On the detection of functionally coherent groups of protein domains with an extension to protein annotation, BMC Bioinformatics, 2007, 8, 390. [PDF]

102. Tingjun Hou, Junmei Wang, Youyong Li, ADME evaluation in drug discovery. 8. The prediction of intestinal absorption by a support vector machine, Journal of Chemical Information and Modeling, 2007, 47, 2408-2415. [HTML] [PDF]

101. Tingjun Hou, Yon Yu, Molecular Dynamics and Free Energy Studies on the Wild-type and Double Mutant HIV-1 Protease Complexed with Amprenavi and Two Amprenavir-related Inhibitors: Mechanism for Binding and Drug Resistance. Journal of Medicinal Chemistry. 2007, 50, 1177-1188. [HTML] [PDF]

100.
Tingjun Hou, Junmei Wang, Wei Zhang, Xiaojie Xu, ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification. Journal of Chemical Information and Modeling.2007, 47, 208-218. [HTML] [PDF]
(This paper is the 6th most assessed article of JCIM in 2007, http://pubs.acs.org/journals/jcisd8/promo/most/most_accessed/index.HTML)

99.
Tingjun Hou, Junmei Wang, Wei Zhang, Xiaojie Xu, ADME evaluation in drug discovery. 6. If the oral bioavailability in human can be effectively predicted by simple molecular properties-based rules? Journal of Chemical Information and Modeling. 2007, 47, 460-463. [HTML] [PDF]
(This paper is the 10th most assessed article of JCIM in 2007, http://pubs.acs.org/journals/jcisd8/promo/most/most_accessed/index.HTML)

98. Junmei Wang, Xiangqun Xie, Tingjun Hou, Xiaojie Xu, Fast Approaches for Molecular Polarizability Calculations. Journal of Physical Chemistry A 2007, 111, 4443-4448. [HTML] [PDF].

97. Junmei Wang, George Krudy, Tingjun Hou, Wei Zhang, George Holland, Xiaojie Xu, Development of Reliable Aqueous Solubility Models and Their Application in Drug-like Analysis. Journal of Chemical Information and Modeling. 2007, 47, 1395-1404. [HTML] [PDF]

2006

96. Tingjun Hou, Ken Chen, William McLaughlin, Benzhuo Lu, Wei Wang, Computational Analysis and Prediction of the Binding Motif and Protein Interacting Partners of the Abl SH3 Domain. PLoS Computational Biology 2006, 2, 0046-0055. [HTML] [PDF]
(This paper was recommended by Faculty 1000, http://www.f1000biology.com/article/id/1030930/evaluation)

95. Tingjun Hou, William McLaughlin, Benzhuo Lu, Ken Chen, Wei Wang, Prediction of Binding Affinities between the Human Amphiphysin-1 SH3 Domain and Its Peptide Ligands Using Homology Modeling, Molecular dynamics and Molecular Field Analysis. Journal of Proteome Research 2006, 5, 32-43. [HTML] [PDF]

94. William McLaughlin,
Tingjun Hou, Wei Wang, Prediction of Binding Sites of Peptide Recognition Domains: An Application on Grb2 and SAP SH2 Domains. Journal of Molecular Biology. 2006, 357, 1322-1334. [PDF]

93. Aihua Wu, Qi Chen, Ke Xia, Tingjun Hou, Xinghai Shen, Hongcheng Gao, Xiaojie Xu. Investigation on photophysical properties of a substituted 3H-indole-modified β-cyclodextrin I. Conformation in water and recognition mechanism as a chemosensor. Journal of Photochemistry and Photobiology A-Chemistry. 2006, 182, 174-180. [HTML] [PDF]

2005

92. Benzhuo Lu, Xiaolin Chen, Tingjun Hou, J. Andrew McCammon, The calculation of the Maxwell stress tensor and the PB force on a solvated molecular surface using hypersingular boundary integrals, Journal of Chemical Physics. 2005, 123, 084904. [HTML] [PDF]

91. Wei Zhang, Tingjun Hou, Xiaojie Xu, New Born Radii Deriving method for Generalized Born Model. Journal of Chemical Informationa and Modeling, 2005, 45, 88-93. [HTML] [PDF]

90. Tingjun Hou, Wei Zhang, Huang Qin, Xiaojie Xu, An extended aqueous solvation model based on atom-weighted solvent accessible surface areas: SAWSA v2.0 model. Journal of Molecular Modeling, 2005, 11, 26-40. [HTML] [PDF]

2004

89. Wei Zhang, Tingjun Hou, Xuebin Qiao, Xiaojie Xu, Some basic data structures and algorithms for chemical generic programming, Journal of Chemical Information and Computer Sciences, 2004, 44, 1571-1575. [HTML] [PDF]
(MORT, the new version of MHTL reported in this paper, was used in AMBER10 and released in 2008)

88. Tingjun Hou, Wei Zhang, Ke Xia, Xiaojie Xu, ADME evaluation in drug discovery. 5. Correlation of Caco-2 permeation with simple molecular properties, Journal of Chemical Information and Computer Sciences, 2004, 44, 1585-1600. [HTML] [PDF]
(This paper is the 11th most assessed article of JCICS in 2004)

87. Wei Zhang, Tingjun Hou, Xuebin Qiao, Xiaojie Xu, Binding affinity of hydroxamate inhibitors of matrix metalloproteinase-2, Journal of Molecular Modeling, 2004, 10, 112-120. [HTML] [PDF]

86. Tingjun Hou, Ke Xia, Wei Zhang, Xiaojie Xu, ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach, Journal of Chemical Information and Computer Sciences, 2004, 44, 266-275. [HTML] [PDF]
(This paper is the 10th most assessed article of JCICS in 2004; the model reported in this paper was also used in the MOE molecular simulation package)

2003

85. Tingjun Hou, Lili Zhu, Lirong Chen, Xiaojie Xu, Mapping the Binding Site of a Large Set of Quinazoline Type EGF-R Inhibitors Using Molecular Field Analyses and Molecular Docking Studies, Journal of Chemical Information and Computer Sciences, 2003, 43, 273-287. [HTML] [PDF]

84. Tingjun Hou, Xiaojie Xu, ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient by Atom-additive Approach Based on Atom-weighted Solvent Accessible Surface Areas, Journal of Chemical Information and Computer Sciences, 2003, 43, 1058-1067. [HTML] [PDF]

83. Tingjun Hou, Xiaojie Xu, ADME Evaluation in Drug Discovery. 3. Modeling Blood-Brain Barrier Partitioning Using Simple Molecular Descriptors. Journal of Chemical Information and Computer Sciences, 2003, 43, 2137-2152. [HTML] [PDF]
(This database reported in this paper has been used by Bio-rad's KnowItAll system, http://www.bio-rad.com)

82. Wei Zhang, Tingjun Hou, Parameters for Generalized Born Model Consistent with RESP Atomic Partial Charge Assignment Protocol, Journal of Physical Chemistry B, 2003, 34, 9071-9078. [HTML] [PDF]
2002

81. Tingjun Hou, Xiaojie Xu, ADME Evaluation in Drug Discovery. 1. Applications of Genetic Algorithms on the Prediction of Blood-brain Partitioning of a Large Set Drugs from Structurally Derived Descriptors, Journal of Molecular Modeling, 2002, 8 337-349. [PDF]

80. Tingjun Hou, Xiaojie Xu, Predictions of binding of a diverse set of ligands to gelatinase-A by a combination of molecular dynamics and continuum solvent models, Journal of Physical Chemistry B, 2002, 106, 5527-5535. [HTML] [PDF]

79. Tingjun Hou, Xiaojie Xu, Empirical aqueous solvation models based on accessible surface areas with implicit electrostatics, Journal of Physical Chemistry B, 2002, 106, 11295-11304. [HTML] [PDF]

78. Tingjun Hou, Xiaojie Xu, Molecular docking simulations of a group of gelatinase-a inhibitors using molecular dynamics, Journal of Computer-aided Molecular Design, 2002, 16, 27-41. [PDF]

77. Xuebin Qiao, Tingjun Hou, Wei Zhang, SenLi Guo, Xiaojie Xu, A 3D Structure Database of Bioactive Components from Chinese Traditional Medicinal Herb, Journal of Chemical Information and Computer Sciences, 2002, 42, 481-489. [HTML] [PDF]

76. Guo Senli, Tingjun Hou, Xiaojie Xu, Simulation of the phase behavior of the (EO)(13)( PO )(30)(EO)(13)(Pluronic L64)/water/p-xylene system using MesoDyn, Journal of Physical Chemistry B, 2002, 106, 11397-11403. [HTML] [PDF]

75. Huang Yanyi, Cheng Tianrong, Li Fuyou, Huang Chunhui, Tingjun Hou, Yu Anchi, Zhao Xinsheng, Xiaojie Xu, Photophysical studies on the mono- and dichromophoric hemicyanine dyes I. Photoelectric conversion from the dye modified ITO electrodes, Journal of Physical Chemistry B, 2002, 106, 10020-10030. [HTML] [PDF]
2001

74. Tingjun Hou, Xiaojie Xu, A new molecular simulation software package Peking University Drug Design System (PKUDDS) for structure-based drug design, Journal of Molecular Graphics and Modeling, 2001, 19, 455-465. [HTML] [PDF]

73. Tingjun Hou, Yu An, Binggen Ru, Bi Ruchang, Xiaojie Xu, Cysteine-indepent polymerization of metallothoneins in solutions and crystals, Protein Science, 2000, 9, 2302-2312. [PDF]

72. Tingjun Hou, Wei Zhang, Xiaojie Xu, Binding affinities for a series of selective inhibitors of gelatinase-A using molecular dynamics with a linear response method, Journal of Physical Chemistry B, 2001, 105, 5304-5315. [HTML] [PDF]

71. Tingjun Hou, Xiaojie Xu, The localization and adsorption of benzene and propylene in ITQ-1 zeolite: grand canonical Monte Carlo simulations, Journal of Molecular Structure (THEO), 2001, 535, 9-23. [HTML] [PDF]

70. Tingjun Hou, Xiaojie Xu, The absorption of a series of aromatics in ITQ-1: Grand Canonical Monte Carlo simulations, Journal of Molecular Catalysis A: Chemical, 2001, 171, 103-114. [HTML] [PDF]

69. Tingjun Hou, Xiaojie Xu, Three-Dimensional quantitative structure activity relationship analysis of some cinnamamides, Chemometrics and Intelligent Laboratory, 2001, 56, 123-132. [HTML] [PDF]

68. Lili Zhu, Tingjun Hou, Xiaojie Xu, 3D QSAR analyses of novel tyrosine kinase phosphorylation inhibitors based on pharmacophore alignment, Journal of Chemical Information and Computer Sciences, 2001, 41, 1032-1040. [HTML] [PDF]

67. Lili Zhu, Tingjun Hou, Xiaojie Xu, Three-Dimensional Quantitative Structure-Activity Relationship Study on Paullones as CDKs inhibitors using CoMSIA and CoMFA, Journal of Molecular Modeling, 2001, 7, 223-230. [PDF]
2000

66. Tingjun Hou, Zhengming Li, Jie Liu, Xiaojie Xu, Three-dimensional quantitative structure activity relationship analysis of the new potent sulfonaylureas using Comparative Molecular Similarity Indices Analysis (CoMSIA), Journal of Chemical Information and Computer Science, 2000, 40, 1002-1009. [HTML] [PDF]

65. Tingjun Hou, Lili Zhu, Xiaojie Xu, Adsorption and diffusion of benzene in ITQ-1 type zeolite: Grand Canonical Monte Carlo and molecular dynamics simulation study, Journal of Physical Chemistry B, 2000, 104, 9356-9364. [HTML] [PDF]

64. Tingjun Hou, Youyong Li, Ning Liao, Xiaojie Xu, Three-dimension quantitative structure-activity relationship analysis of some cinnamamides using comparative molecular similarity indices analysis (CoMSIA), Journal of Molecular Modeling, 2000, 6, 438-445. [HTML] [PDF]

63. Youyong Li, Tingjun Hou, Kaixuan Wang, Senli Guo, The mesodyn simulation of pluronic water mixtures using the 'equivalent chain' method, Physical Chemistry Chemical Physics, 2000, 2, 2749-2753. [HTML] [PDF]
1999 and before

62. Tingjun Hou, Junmei Wang, Xiaojie Xu, Automatic docking of peptides and proteins using a hybrid method combined with genetic algorithm and tabu search, Protein Engineering, 1999, 12, 639-647. [HTML] [PDF]

61. Tingjun Hou, Junmei Wang, Ning Liao, Xiaojie Xu, Applications of genetic algorithms on the structure-activity relationships analysis of some cinnamamides, Journal of Chemical information and computer science, 1999, 39, 775-781. [HTML] [PDF]

60. Tingjun Hou, Junmei Wang, Xiaojie Xu, Applications of genetic algorithms on the structure-activity correlation study of a group of non-nucleoside HIV-1 inhibitors, Chemometrics and Intelligent Laboratory system, 1999, 45, 303-310. [HTML] [PDF]

59. Jummei Wang, Tingjun Hou, Xiaojie Xu, Automatic docking of peptides and proteins using genetic algorithm, Chemometrics and Intelligent Laboratory system, 1999, 45, 281-286. [HTML] [PDF]

58. Junmei Wang, Tingjun Hou, Lirong Chen, Xiaojie Xu, Conformational analysis of peptides using Monte Carlo simulations combined with the genetic algorithm, Chemometrics and Intelligent Laboratory system, 1999, 45, 347-351. [HTML] [PDF]

57. Junmei Wang, Hua Zhang, Huixin He, Tingjun Hou, Xiaojie Xu, Theoretical studies on force titration of amino-group-terminated self-assembled monolayers, Journal of Molecular Structure (THEO), 1998, 451, 295-303. [HTML] [PDF]
Other papers published on Chinese Journals

56. Qin Huang, Tingjun Hou, Xiaojie Xu, The Prediction of Caco-2 permeation based on genetic algorithm. Acta Physico-Chimica Sinica, 2005, 21, 372-377.

55. Xudong Li, Tingjun Hou, Xiaojie Xu, Comparative studies of 14 binding free energies scoring functions, Acta Physico-Chimica Sinica, 2005, 21, 504-507.

54. Tingjun Hou, Xiaojie Xu, Calculations of free energies based on the combination of molecular dynamics simulations and continuum solvation model, Progress in Chemistry, 2004, 16, 153-158.

53. Tingjun Hou, Xiaojie Xu, Applications of genetic algorithms to computer-aided drug design, Progress in Chemistry, 2004, 16, 35-41.

52. Ke Xia, Tingjun Hou, Xiaojie Xu, Shen Xinhai, Molecular modeling of DPH-cyclodextrins nanotube-type aggregate, Acat Physico-Chimica Sinica, 2004, 20, 5-8.

51. Yongmei Pan, Tingjun Hou, Mingjuan Ji, Xiaojie Xu, MD simulations of PTP1B-inhibitor complex, Acat Chimica Sinica, 2004, 62, 148-152.

50. Wei Zhang, Tingjun Hou, Xuebin Qiao, Tingjun Hou, Parameters of GB/SA solvation models consistent with AMBER force field, Acta Physico-Chimica Sinica, 2003, 19, 289-292.

49. Tingjun Hou, Wei Zhang, Xiaojie Xu, Molecular docking studies of the 4-anilinoquinazoline inhibitors with EGFR, Acta Chimica Sinica, 2002, 20, 221-227.

48. Hou Tingjun, Zhang Wei, Xu Xiaojie, Binding free energy calculations for MMP2-hydroxamate complexes, Acta Chimica Sinica, 2002, 60, 43-48.

47. Tingjun Hou, Lirong Chen, Xiaojie Xu, Studies on interactions between EGFR and 4-anilinoquinazoline inhibitors, Acta Chimica Sinica, 2002, 60, 1023-1028.

46. Tingjun Hou, Wei Zhang, Xuebin Qiao, Xiaojie Xu, Prediction of binding free energies between benzamides and trypsin, Acta Chimica Sinica, 2002, 60, 1116-1121.

45. Xuebin Qiao, Tingjun Hou, Yu Huidong, Xiaojie Xu, Research and development of traditional Chinese medicine drugs information system based on networks, Acta Physico-Chimica Sinica, 2002, 18, 394-398.

44. Wei Zhang, Tingjun Hou, Xiaojie Xu, Binding preference of hydroxamate inhibitors of the matrix metalloproteinase-3, Acta Chimica Sinica, 60 (2002) 43.

43. Tingjun Hou, Yu An, Binggen Ru, Xiaojie Xu, Theoretical studies on the crystal packing form of MT-II from rat liver, Chem. J. Chinese U. 2002, 23, 271-274.

42. Tingjun Hou, Xiaojie Xu, Aqueous solvation models based on accessible surface area calculations, Acta Physico-Chimica Sinica, 2002, 11, 1052-1056.

41. Xuebin Qiao, Tingjun Hou, Wei Zhang, Xiaojie Xu, Prediction of Brain-blood partitioning using back progation network, Acta Physica-Chimica Acta, 2002, 18, 385-388.

40. Guo Senli, Tingjun Hou, Xiaojie Xu, Zhang Bin, Zhu Daoben, Crystal structure prediction of a new BEDT-TTF charge transfer salt, Acta Physica-Chimica Acta, 2002, 18, 289-291.

39. Lili Zhu, Tingjun Hou, Lirong Chen, Xiaojie Xu, Molecular docking studies of the 4-anilinoquinazoline inhibitors with EGFR, Acta Chimica Sinica, 2002, 60, 43-48.

38. Tingjun Hou, Xuebin Qiao, Xiaojie Xu, Research and development of 3D molecular structure database of traditional Chinese drugs, Acta Chimica Sinica, 2001, 59, 1788-1792.

37. Tingjun Hou, Xiaojie Xu, Recent Progress in Comparative Molecular Field Analysis (CoMFA), Progress of Chemistry, 2001, 13, 436-440.

36. Lili Zhu, Tingjun Hou, Lirong Chen, Xiaojie Xu, Pharmacophore model analysis of novel tyrphostins, Acta Chimica Sinica, 2001, 59, 1078-1083.

35. Lili Zhu, Tingjun Hou, Xiaojie Xu,Molecular field analysis of two sets of non-peptide corticotropin-releasing hormone antagonists, Acta. Chimica. SInica, 2001, 59, 887-882.

34. Xiaojie Xu, Tingjun Hou, The method of computer-aided drug design, Dagong newspaper (HongKong), 2001, 4.

33. Xuebin Qiao, Bo Jiang, Tingjun Hou, Xiaojie Xu, Representation of Molecular Electrostatic Potentials Distribution on Surface of Proteins by Self-Organizing Feature Map, Chinese Journal of Chemistry, 2001, 19, 1172-1178.

32. Tingjun Hou, Wei Zhang, Xiaojie Xu, Molecular docking simulations betweeen hydroxamtes and MMP-2, Acta Chimica Sinica, 2001, 59, 1184-1189.

31. Tingjun Hou, Lili Zhu, Xiaojie Xu, Mingjuan Ji, Ye Xueqi, Adsorption of some aromatic compounds in ITQ-1 zeolite: Grand canonical Monte Carlo simulations, Chem. J. Chinese U., 2001, 22, 230-233.

30. Guo Senli, Tingjun Hou, Xiaojie Xu, Simulation of the phase separation of the pluronic L64/water/p xylene system using MesoDyn. Acta Chimica Sinica, 2001, 59, 2093-2098.

29. Wei Zhang, Tingjun Hou, Xiaojie Xu, Binding preference of hydroxamate inhibitors of the matrix metalloproteinase-3, Acta Chimica Sinica, 2001, 59, 2116-2121.

28. Changming Gu, Tingjun Hou, Xiaojie Xu, Comparative molecular field analysis of gamma-hydroxy butenolide endothelin antagonists, Chem. J. Chinese U. 2001, 22, 1864-1868.

27. Xiaohui Ma, Weizu Chen, Yan Zhuang, Cunxin Wang, Tingjun Hou, Xuebin Qiao, Xiaojie Xu, Effects of electrostatic and hydrophobic interaction on the stability of insuline dimer. Acta Biophysica Sinica, 2001, 17, 329-336.

26. Tingjun Hou, Zheng Li, Xiaojie Xu, Jie Liu, Zhengming Li, Albert S. C. C, Designing New Potential Herbicidal Sulfonylurea Compounds Using a Genetic Algorithm Combined with Computational Combinatorial Chemistry, Chemistry in Hong Kong, 2000, 3, 23

25. Tingjun Hou, Yu An, Ruchang Bi, Binggen Ru, Xiaojie Xu, Studies on the metallothionein polymerization in different buffers, Chem. J. Chinese U. 2000, 21, 82.

24. Tingjun Hou, Junmei Wang, Youyong Li, Ning Liao, HongPeng Luo, Xiaojie Xu, An Automatic Conformation Selection Procedure using Genetic Algorithm in Comparative Molecular Field Analysis, Computer and Applied Chemistry, 2000, 17, 1

23. Tingjun Hou, Zenru Wu, Ning Liao, Zheng Li, Hongpeng Luo, Wang Jiaquan, Xiaojie Xu, Pharmacophore model and 3D-QSAR study of two kinds of HCV NS3 serine protease inhibitors, Acta Physico-Chimica Sinica, 2000, 16, 196-201.

22. Ning Liao, Tingjun Hou, Youyong Li, Xiaojie Xu, Pharmocophore Model Analysis of Novel Tryphostins. Computer and Applied Chemistry, 2000, 17, 37.

21. Tingjun Hou, Yu An, Binggen Ru, Xiaojie Xu, Electrostatic interactions in three types of metallothioneins aggregates, Acta Chimica Sinica, 2000, 58, 313-318.

20. Tingjun Hou, Yu An, Binggen Ru, Xiaojie Xu, Theoretic studies on the mechanism of cations in metallothioneins polymerization, Acta Physico-Chimica Sinica, 2000, 16, 356-361.

19. Tingjun Hou, Yu An, Binggen Ru, Xiaojie Xu, Theoretic studies of dynamics stability to three kinds of metallothioneins, Acta Physico-Chimica Sinica, 2000, 16, 221-225.

18. Tingjun Hou, Yu An, Youyong Li, Binggen Ru, Xiaojie Xu, Studies on hydrophobic interactions of three kinds of metallothionein aggregates, Acta Biophysica Sinica, 2000, 1, 25.

17. Tingjun Hou, Youyong Li, Ning Liao, Xiaojie Xu, Substituent effect on the geometrical structures and electronic properties of benzonitrile oligobenzonitriles, Acta Physico-Chimica Sinica, 2000, 16, 886-891.

16. Tingjun Hou, Xiaojie Xu, Adsorption of benzene in MCM-22 zeolite by grand canonical Monte Carlo simulation, Acta Chimica Sinica, 2000, 58, 1216-1220.

15. Tingjun Hou, Xiaojie Xu, Mingjuan Ji, Ye Xueqi, Diffusion of benzene in MCM-22 zeolite: A molecular dynamics study, Acta Physico-Chimica Sinica, 2000, 16, 701-707.

14. Tingjun Hou, Youyong Li, Yuangkang He, Xiaojie Xu, Substituents effect on the optical properties of benzonitrile and oligobenzonitriles. Chinese Chemical Letters, 2000, 11, 693-696.

13. Lili Zhu, Tingjun Hou, Xiaojie Xu, Computer simulation studies of the adsorption behaviors of xylenes in ITQ-1 zeolite, Acta Physico-Chimica Sinica, 2000, 16, 981-986.

12. Lili Zhu, Tingjun Hou, Xiaojie Xu, The Grand Canonical Monte Carlo simulations of benzene and propylene in ITQ-1 zeolite, Chinese Chemical Letters, 2000, 11, 623-626.

11. Youyong Li, Tingjun Hou, Wang Kanxuan, Guo Senli, Xiaojie Xu, Theoretical study of the mesoscopic morphology of the pluronics water mixtures, Acta Chimica Sinica, 2000, 58, 402-408.

10. Mingjuan Ji, Pengchen Yangg, Ye Xueqi, Tingjun Hou, Xiaojie Xu, Adsorptive of water molecule in model zeolite, Acta Physico-Chimica Sinica, 2000, 16, 487-490.

9. Tingjun Hou, Junmei Wang, Xiaojie Xu, A comparison of three heuristic algorithms for molecular docking, Chinese Chemical Letters, 1999, 10, 651-618.

8. Tingjun Hou, Liu Hui, Xiaojie Xu, Localization and mobility of benzene in sodium-Y zeolite by Monte Carlo simulation, Acta Chimica Sinica, 1999, 57, 1004-1008.

7. Xiaojie Xu, Tingjun Hou, Junmei Wang, Lirong Chen . A new molecular design system - PUMDS based on intermolecular interactions, Computer and Applied Chemistry, 1999, 16, 334

6. Tingjun Hou, Mingjuan Ji, Liu Hui, Huang Xiaowei, Ye Xueqi, Xiaojie Xu, Molecular dynamics studies an thermal behavior of a FAU-type zeolite, Chinese Chemical Letters, 1999, 10, 515-518.

5. Tingjun Hou, Ning Liao, Luo Huopeng, Xiaojie Xu, An enhanced comparative molecular field analysis method using genetic algorithm, Chinese Chemical Letters, 1999, 10, 759-762.

4. Tingjun Hou, Junmei Wang, Youyong Li, Xiaojie Xu, Application of genetic algorithm to the QSAR research of pyrrolobenzothiazepinones and pyrrolobenzoxazepinones-novel and specific non-nucleoside HIV-1 reverse transcription inhibitors, Chinese Chemical Letters, 1998, 9, 651-654.

3. Ning Liao, Tingjun Hou, Jiaquan Wang, Xiaojie Xu, Common pharmacophore model and 3D-QSAR analysis of two different tyrphostin families, Chinese Chemical Letters, 1999, 10, 755-758.

2. Pengchen Yang, Xueqi Ye, Mingjuan Ji, Zhuliu Zhao, Tingjun Hou, Xiaojie Xu, Theoretical study of the Al atoms positions in zeolite framework, Acta Chimica-Sinica Acta, 1998, 14, 686-690.

1. Junmei Wang, Tingjun Hou, Youyong Li, Xiaojie Xu, The QSAR research of pyrrolobenzothiazepinones and pyrrolobenzo-xazepinones - Novel and specific non-nucleoside HIV-1 reverse transcriptase inhibitors, Chinese Chemical Letters, 1997, 8, 889-892.
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