計算機(jī)輔助藥物設(shè)計課程

計算機(jī)輔助藥物設(shè)計結(jié)課作業(yè)

學(xué)院：生物工程

專業(yè)：生物制藥

學(xué)號姓名： 馮倩

利用chemdraw做5個分子結(jié)構(gòu)或反應(yīng)式，展示分子至少5種不同顯示元素或顯示方式

從RCSB protein data bank 下載蛋白文件，利用chimera顯示其結(jié)構(gòu)，至少包含ribbons，化學(xué)鍵，原子，表面和文字標(biāo)記等顯示元素

利用chem3d 做至少2個分子3d圖像，包含不同顯示方式并標(biāo)記個別原子或鍵參數(shù)

利用Arguslab對接至少2個分子，列出對接結(jié)果(對接輸出結(jié)果文件里的內(nèi)容，如能量等)

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************************************************

* *

* ArgusLab (tm) *

* *

* Version 4.0 *

* *

* Copyright (c) 1996-2004 *

* *

* Planaria Software LLC *

* ALL RIGHTS RESERVED *

* *

* 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

總結(jié)

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