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LigBuilder v2.0 - An Integrated De Novo Drug Design System

LigBuilder V2.0, An Integrated De Novo Drug Design System.

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LigBuilder v2.0 - An Integrated De Novo Drug Design System | ligbuilder.org Reviews
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LigBuilder V2.0, An Integrated De Novo Drug Design System.
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LigBuilder v2.0 - An Integrated De Novo Drug Design System | ligbuilder.org Reviews

https://ligbuilder.org

LigBuilder V2.0, An Integrated De Novo Drug Design System.

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1

User manual for LigBuilder v2.0

http://www.ligbuilder.org/intro.html

What is LigBuilder v2.0? LigBuilder v2.0 is a multiple-purposed program developed for structure-based de novo drug design and optimization. Based on the three-dimensional structure of the target protein, it can automatically build ligand molecules within the binding pocket and subsequently screen them. Main features of LigBuilder v2.0 include:. 3) Fragment Database: Ligand molecules are constructed by using fragments as building blocks. Various kinds of structural manipulation are provided, such as g...

2

User manual for LigBuilder v2.0

http://www.ligbuilder.org/skill.html

How to build the seed structure? How to set the chemical viability rules in the parameter file? How to edit the building-block fragment library? How to edit the forbidden substructure library? How to edit the toxic substructure library? How to resume a former job? How to design good molecules? How to design lead structure? How to optimize existed molecule and lead structure? How to design mimic inhibitor? 1 How to build the seed structure? On the seed structure by simply change the atom type of the corre...

3

User manual for LigBuilder v1.2

http://www.ligbuilder.org/download.html

LICENSE OF LIGBUILDER V2.0. License of LigBuilder v2.0 for Unix/Linux. This program implements a structure-based de novo drug design method. Institute of Physical Chemistry, Peking University. Beijing 100871, P.R.China. E-mail: lhlai@pku.edu.cn Fax:86-10-62751490. 1 The Institute of Physical Chemistry at Peking University (IPC) grants to the user a non-exclusive, non-transferable license to use LigBuilder v2.0 (PROGRAM). BY CHECKING THE BOX MARKED I HAVE READ AND ACCEPT THE LICENCE TERMS AND CONDITIONS F...

4

User manual for LigBuilder v2.0

http://www.ligbuilder.org/cavity.html

How to manipulate CAVITY? 1LigBuilder v2.0 adopts the rigid receptor assumption. Therefore, for a given target protein, you just need to run CAVITY only once. That means you do not have to run CAVITY each time before you want to run BUILD. Synopsis of running CAVITY:. The parameter file assembles all the information necessary to run CAVITY as you wish. You should edit the parameter file before running CAVITY. The key words appeared in this parameter file are explained in the following. The parameter set ...

5

LigBuilder v2.0 - An Integrated De Novo Drug Design System

http://www.ligbuilder.org/index_cn.html

Welcome to LigBuilder v2.0! LigBuilder v2.0介绍. LigBuilder v2.0安装方法. LigBuilder v2.0使用说明. 39640;级技巧. 24120;见问题. LigBuilder v2.0 初次发布时间 2012年3月8日. 点击上方下载图标下载最新版本. ( 最新更新时间:2013年1月 15日). 19979;载Cavity独立版:. 19979;载LigBuilder v1.2:. 19979;载本实验室 开发的其他程序:. Home Page of MDL. Change to Enlish version. These web pages are edited by Yaxia Yuan. Latest update: Jan, 2013).

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LigBuilder v2.0 - An Integrated De Novo Drug Design System

Welcome to LigBuilder v2.0! What is LigBuilder v2.0? How to install LigBuilder v2.0? How to use LigBuilder v2.0: An overview. How to manipulate CAVITY? How to manipulate BUILD? LigBuilder v2.0 was first released on March 8, 2012. You may download the newest version by clicking the icon above. ( Lastest updating of the package: June 5, 2012.). Download previous version of LigBuilder:. Download other programs developed by MDL:. Home Page of MDL. 20999;换到中文版.

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