[分子动力学] Beveridge的Molecular Dynamics and Molecular Modeling课程课件 Dynamics, Modeling, 课件, Molecular, Beveridge

sobereva

课程主页：

http://dbeveridge.web.wesleyan.edu/wescourses/2004s/chem388/01/mdcourse/

压缩包里是lecture slide里面片子的打包，纳米盘下载：

Molecular Dynamics and Molecular Modeling(David L. Beveridge).rar

This course is designed to introduce graduate students and advanced undergraduate science majors to the subject of computer simulation of molecules and macromolecules in fluids, liquids and solutions. The aim of the course is to provide participants with  the fundaments of molecular dynamics and Monte Carlo computer simulation and experience with how these techniques are applied in the areas of molecular physics, structural biology and bioinformatics, and  pharmaceutical design.  A series of computer-based homework exercises will be provided in order that participants in the class can gain a hands-on familiarity and experience with molecular simulation and computer graphics analysis of the results.  

Part I
Fundamentals of molecular dynamics simulation as applied to systems such as hard spheres and soft spheres.

Part II
Applications in the physics of molecular liquids will be considered, illustrated by computer simulations of the structure and thermodynamics properties of liquid water.

Part III
MD simulations on protein, DNA, and RNA molecules in solution will be treated, including a consideration of methods based on continuum electrostatics.

Part IV
Special topics of current interest in molecular modeling such as protein folding and structure prediction, DNA bending, ligand binding, and pharmaceutical design.

素颜

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hotrock

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chrysalis319

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adarain

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geffery

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xjping

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youmufeng

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谢谢