蛋白质计算机模拟（附光盘1张）

This science textbook provides a comprehensive introduction and practical guide to the computer simulation of proteins. It covers two key areas of knowledge: Molecular Dynamics (MD) and Full Electron Structure Calculation of Proteins. These two knowledge blocks are essential to understand Knock-off Proteins and Protein-Ligand Interactions. The textbook assumes the readers have basic knowledge of computer languages, proteins, and physics.What sets this textbook apart is its detailed and engaging approach to understanding protein computer simulations. The Full Electron Structure Calculation of Proteins is one of the new features of this textbook. It provides ample problem examples for students to practice and, additionally, includes information on Unix, TCL, and Phthon for a refresher exercise.While reading the textbook is beneficial, it is essential that students practice all of the problem examples on computers. This practical aspect is the keystone of the course and will provide students with an in-depth understanding of computer simulation of proteins.Overall, this science textbook is highly recommended for science major students who are interested in computer simulation of proteins. Its detailed approach, practical examples, and ample information make it an essential resource for understanding this complex field.