[113] Yi Lin, Wensheng Cai, Xueguang Shao
Comparison studies of fullerenes C72, C74, C76 and C78 by tight-binding monte carlo and quantum chemical methods
Journal of Molecular Structure: THEOCHEM, 2006, 760: 153-158
[114] Yanmin Yu, Christophe Chipot, Wensheng Cai, and Xueguang Shao
Molecular Dynamics Study of the Inclusion of Cholesterol into Cyclodextrins
Journal of Physical Chemistry B, 2006, 110(12): 6372-6378
[115] Yanmin Yu, Wensheng Cai, and Xueguang Shao
A simulation on the complexation of cyclodextrins with phospholipid headgroups
Journal of Inclusion Phenomena and Macrocyclic Chemistry, 56(1-2):225-235
[116] 侯振雨,王伟,蔡文生,邵学广
计算机与应用化学2006, 23(3):224-226
[117] Wensheng Cai, Yanmin Yu, Xueguang Shao
Studies on the Interaction of .-Cyclodextrin with Phospholipid by a Flexible Docking Algorithm
Chemometrics and Intelligent Laboratory Systems, 2006,82:260 - 268
[118] Guoqing Wang, Wensheng Cai, Xueguang Shao
A primary study on resolution of overlapping GC-MS signal using mean-field approach independent component analysis
Chemometrics and Intelligent Laboratory Systems, 2006, 82:137 - 144
[119]  Yi Lin, Wensheng Cai and Xueguang Shao
Formation and stability of parallel carbon nanotube junctions
Journal of Molecular Structure: THEOCHEM, 2006, 767(1-3): 87-93
[120] Xueguang Shao, Wei Wang, Zhenyu Hou, Wensheng Cai
A new regression method based on independent component analysis
Talanta, 2006, 69(3):676-680
[121] Huan Zhan, Longjiu Cheng, Wensheng Cai, Xueguang Shao
Structural optimization of silver clusters from Ag61 to Ag120 by dynamic lattice searching method
Chemical Physics Letters, 2006, 422(4-6):358-362
[122] 吴荣晖, 邵学广
光谱学与光谱分析2006, 26 (4): 617-619
[123]  Lei Xu, Wensheng Cai, Xueguang Shao
Prediction of Low-Energy Isomers of Large Fullerenes from C132 to C160
J. Phys. Chem. A, 2006, 110 (29): 9247 -9253
[124] Zhenqiang Su, Weida Tong and Leming Shi, Xueguang Shao and Wensheng Cai
A Partial Least Squares-Based Consensus Regression Method for the Analysis of Near-Infrared Complex Spectral Data of Plant Samples
Analytical Letters, 2006, 39: 2073-2083,
[125]  Michel E. B. Yamagishi, Natalia F. Martins, Goran Neshich, Wensheng Cai Xueguang Shao, Alexandre Beautrait, Bernard Maigret
A fast surface-matching procedure for protein杔igand docking
Journal of Molecular Modeling, 2006, 12: 965-972
[126] Yi Lin, Wensheng Cai and Xueguang Shao
Fullerenes connected nanotubes: An approach to build multidimensional carbon nanocomposites
Chemical Physics, 2006, 331: 85-91