ant-city.com
蚂蚁城邦-生物医药网址导航
http://www.ant-city.com/platform/dock.html
依据 Rosetta 3.x软件组进行分子对接的平台。
bcirc.docking.org
BCIRC - A bioinformatics and chemical informatics research center
http://bcirc.docking.org/products.shtml
Crash the entire computer cluster. The Bioinformatics and Chemical Informatics Research Center (BCIRC) develops software tools, databases, and other resources that use chemistry to interpret biology. Currently, we offer several products:. A database of commercially available compounds for virtual screening. Currently version 8 (2008). Version 9 will appear in 2009. A free virtual screening service. Currently in beta test (since Nov 2007). A directory of useful decoys for benchmarking virtual screening.
dockingtoolbox.blogspot.com
Docking Toolbox: April 2009
http://dockingtoolbox.blogspot.com/2009_04_01_archive.html
A structural biologist experiments with computational biology. Thursday, 23 April 2009. However I do have some ideas for using the programs to simulate molecular dynamics. Monday, 13 April 2009. As a structural biologist I am used to the excellent ccp4 email list populated by the best crystallographers in the world. It is sometimes rather intimidating to post a question, however you always know that you will get an excellent answer. And then you have the autodock email list. oh dear.
dockingtoolbox.blogspot.com
Docking Toolbox: August 2008
http://dockingtoolbox.blogspot.com/2008_08_01_archive.html
A structural biologist experiments with computational biology. Saturday, 2 August 2008. I have posted a snippet of my methods and results from the chapter of my thesis relating to this work here. In retrospect i should have written up and published these results at the time, however the experiments were done prior to some big publications and we did not want to risk the chances of our Nature papers! Subscribe to: Posts (Atom). Open Babel (file converter). Useful Papers (not by me!
dockingtoolbox.blogspot.com
Docking Toolbox: January 2010
http://dockingtoolbox.blogspot.com/2010_01_01_archive.html
A structural biologist experiments with computational biology. Friday, 8 January 2010. Fragment screening for a new cavity. After about six months or so of having given up on automated docking I have returned with a new biological problem to explore. Subscribe to: Posts (Atom). Fragment screening for a new cavity. Open Babel (file converter). Useful Papers (not by me! 2009 Automated Docking Screens: A Feasibility Study. 2007 Evaluations of Molecular Docking Programs for Virtual Screening.
dockingtoolbox.blogspot.com
Docking Toolbox: Fragment screening for a new cavity
http://dockingtoolbox.blogspot.com/2010/01/fragment-screening-for-new-cavity.html
A structural biologist experiments with computational biology. Friday, 8 January 2010. Fragment screening for a new cavity. After about six months or so of having given up on automated docking I have returned with a new biological problem to explore. Subscribe to: Post Comments (Atom). Fragment screening for a new cavity. Open Babel (file converter). Useful Papers (not by me! 2009 Automated Docking Screens: A Feasibility Study. 2007 Evaluations of Molecular Docking Programs for Virtual Screening.
dockingtoolbox.blogspot.com
Docking Toolbox: March 2009
http://dockingtoolbox.blogspot.com/2009_03_01_archive.html
A structural biologist experiments with computational biology. Monday, 9 March 2009. Have been looking at doing some dockings with a protein containing some calcium atoms. A couple years ago I had problems doing this in Autodock, however after speaking so the guys on the autodocking bulletin board I have found the following:. This then raises the question what the charge on the calcium atom should be? Wouldn't it be far more accurate for the charge calculation to take into account the presence of the cal...
