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Molecular Design & Protein Function Group |
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| BJUT (Chinese): Home Gateway Library Email | ||
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For Prospectives Seminars Useful Links ¡¡ |
Major Research Areas | |
| (1) Computer-Aided Drug Design (Details) | ||
| Computer-aided drug design is a practical tool which relate to the computer technology and the process of medicine design, and its emergence has supplied some theoretical instructions and methods for the improvement of the structure of the bioactive substance and the new medicine molecule design, which accelerate the development of new drugs. Our group regards the HIV which endangers our human being¡¯s health as the investigated subject, using the ways of bioinformatics and computer-aided drug design, has beencarrying out reasonable drug design to the effective target protein of HIV and studing the interactions between the target enzyme and the inhibitor molecules as well as the structure activity of the inhibitor molecules. Our research can provide some new theory instructions to the development of new drugs. Our laboratory has several softwares for computer-aided drug design, such as AutoDock, DOCK, Insight II, and SYBYL; we also have the graphic workstation SGI-Octane, the Pentium IV PC- cluster, and the small molecule database MDL. Therefore, we can do virtual screening, drug design, and result analysis as well as some work such as molecular structure image analysis. | ||
| (2) Interactions and Recognition of Protein-Protein / Protein-DNA (Details) | ||
| The studies on protein-protein interactions and the relationship between structure and function of protein complexes are both the hot issues of recent researches. In 2002, we took part in the CAPRI £¨Critical Assessment of Predicted Interactions£©competition held by European Bioinformatics Institution. In international 20 participant groups, there is only our group from China. Now, a soft protein-protein docking program package has been developed and some successful predictions have been obtained (see Figures on the right). Additionally, the salt and pH dependent properties of structural stability of protein complex were investigated for dimmer and hexammer of insulin and the results agree well with the experimental observations. The mutation research of insulin dimmer sheds light on the fast-acting behavior of several mutants (see Figures below). | ||
| (3) Protein Folding and Protein Design (Details) | ||
| Predicting the tertiary structure of a protein from it¡¯s amino acids sequence (protein folding) and designing a primary structure satisfying the three-dimensional structure (protein design) are two central issues in molecular biology.Our group is focusing on the following two research direction in this area. ¢Ù protein folding and design studies based on the relative entropy method; ¢Ú protein folding mechanism study based on the complex network theory. | ||
| (4) Enzymatic Biochemistry Experiment (Details) | ||
| We focus on the molecular virology research associated with HIV-1 using some approaches and technologies on biochemistry, molecular biology, microbe biology and bioinformatics. Our main works include the expression, purification and functional study of HIV-1 proteins, as well as protein-DNA interactions, protein-protein interactions and drug discovery based on enzymatic researches. | ||
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Corresponding Address: |
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| College of Life Science & Bioengineering, Beijing University of Technology, PingLeYuan 100, ChaoYang District, Beijing 100022, China Phone: 8610-67392724, Fax: 67392837, Email: cxwang@bjut.edu.cn | ||
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Researches in the Our group are supported in part by grants from the following agencies: National Natural Science Foundation of China Municipal Natural Science Foundation of Beijing (Chinese) Beijing Municipal Education Commision | ||
