生物巨分子电脑模拟的应用与研究方向生物巨分子电脑模.pdfVIP

Draw your first chemical structure on computer Get some pretty molecular structures The 3D world and virtual reality 生物巨分子電腦模擬的應用與研究方向 生物巨分子電腦模擬的應用與研究方向 • 巨分子結構形成的原理 • 分子與分子間的作用力 • 分子摺疊的理論基礎 • 分子突變後結構的影響 • 分子結構預測 • 分子功能與結構間之關係 • 蛋白質工程 • 分子動力學之模擬 • 酵素反應之模擬 • 酵素與受質之交互作用 • 理性藥物設計 A hierarchical condensation model for protein folding. Sequence determines secondary structure, and secondary structure elements assemble to form an approximate tertiary structure. Energy refinement yields a detailed three-dimensional structure. The tertiary structure of proteins is maintained by four different types of interactions. The relationship between protein structure and its biological function Chromosome (Cell and Nucleus) Gene sequence Protein sequence Protein 3D structure Protein function Protein modification Protein dysfunction Molecular design to protein target Enzyme pathways Site-directed mutagenesis Disease states Inhibitors Catalysts chemical modification Genetic abnormalities activators Diagnostics Diagnostics Therapeutics Diagnostics Amino acid Gene sequence Computation Experiment Structure Computer graphics Spectroscopy prediction 3D visualization NMR, UV, IR,