计算机辅助药物设计课程,计算机辅助药物设计课程.doc

计算机辅助药物设计课程

计算机辅助药物设计结课作业

学院：生物工程

专业：生物制药

学号姓名： 冯倩

利用chemdraw做5个分子结构或反应式，展示分子至少5种不同显示元素或显示方式

从RCSB protein data bank 下载蛋白文件，利用chimera显示其结构，至少包含ribbons，化学键，原子，表面和文字标记等显示元素

利用chem3d 做至少2个分子3d图像，包含不同显示方式并标记个别原子或键参数

利用Arguslab对接至少2个分子，列出对接结果(对接输出结果文件里的内容，如能量等)

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* ArgusLab (tm) *

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* Version 4.0 *

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* Copyright (c) 1996-2004 *

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* Planaria Software LLC *

* ALL RIGHTS RESERVED *

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* info@ *

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WARNING -- ArgusLab may not be used in any manner that competes with

the business of Planaria Software LLC or will provide assistance to

any competitor of Planaria Software LLC. The licensee of this program

is prohibited from giving any competitor of Planaria Software LLC.

access to this program. By using this program, the user acknowledges

that Planaria Software LLC. is engaged in the business of creating and

licensing software in the field of computational chemistry and

represents and warrants to Planaria Software LLC that it is not a

competitor of Planaria Software LLC. and that it will not use this

program in any manner prohibited above.

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Calculation start time: Tue Jun 18 00:19:58 2013

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Docking ligand: Unnamed

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Li