题目：Development and Application of Physics-Based Approaches in Structure-Based Ligand Discovery
    时间：10:30-11:30
    地点： E-104
    报告人简介：http://www.nibs.ac.cn/index.php?act=view&id=1026

Research Description:
The opening of the 21st century has marked with the sequencing of the human genome. Today, the understanding of the sequence and structure of biologically relevant targets is growing rapidly and researchers from many disciplines, physics and computational science in particular, are making significant contributions to modern biology and drug discovery. State-of-the-art computational chemistry and molecular modeling techniques can be applied to study a wide range of chemical and biological systems of interest, which enable us to acquire information not obtainable by experimental techniques, to investigate structural phenomena at the atomic level and to identify novel compounds with desired biological characteristics. Our laboratory is interested in developing and applying computational techniques to study the structural and energetic basis of molecular recognition (i.e., protein-protein, protein-DNA and protein-ligand interactions). Aside from its fundamental biological interest, such theoretical studies have tremendous practical values of which one of the most important is structure-based drug design.