周麟祥,物理學教授。1939年12月生,原籍浙江嘉興。1960年畢業於廈門大學物理係。
1993-1997年任美國林肯大學客座教授。曾在廈門大學任教。目前在復旦大學物理係主要從事蛋白質分子動力學和全電子結構的計算機模擬研究工作。
帥建偉,物理學教授。1968年6月生,原籍四川。1995年畢業於廈門大學物理係。1996-2007年在香港、日本、德國、美國任職。2007年迴國前,在美國加州大學Irvine分校工作。現在廈門大學物理係任閩江學者特聘教授,從事生物係統計算機模擬的研究工作。
This textbook covers a course of computer simulation of proteins for science major students, It consists of two knowledge blocks: Molecular Dynamics (MD)and Full Electron Structure Calculation of Proteins. We shall also discuss two main subjects: Knock-off Proteins and Protein-Lig and Interactions. However we shall not discuss the folding dynamics of proteins. These are discussed in "Cluster-Linux-Parallel Calculation System".
The Full Electron Structure Calculation of Proteins is one of the new features of this textbook.
We assume the readers have the basic knowledge of computer languages, proteins and physics. Still, information on Unix, TCL and Phthon are included briefly in this textbook as a refreshing exercise.
The keystone of this textbook is to elaborate the computer simulation of proteins. Therefore, merely reading this textbook is not enough. The students must practice all the problem examples on computers while studying. Otherwise, the students will not understand the topics discussed in this textbook.
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