I have to perform Inverse docking to find target proteins of a known ligand. I am comfortable with Autodock 4.0. I would like to know how to perform Inverse docking and softwares realted to this technique.
Thanks in advance,
Ganesh Shastry H M
You need to write your own shell scripts for doing it with autodock...You can try dock from kuntz lab for which scripts are also available for inverse docking...
Dear Ganesh
I would like to help you with some of the references available. Go through them.
1. An inverse docking approach for identifying new potential anti-cancer targets (Software used - MDock)
J Mol Graph Model. 2011 April ; 29(6): 795–799. doi:10.1016/j.jmgm.2011.01.002.
2. PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach
Nucleic Acids Research, 2010, Vol. 38, Web Server issue W609–W614
doi:10.1093/nar/gkq300
3. PDTD: a web-accessible protein database for drug target identification (TarFisDock (Target Fishing Docking) http://www.dddc.ac.cn/tarfisdock)
BMC Bioinformatics 2008, 9:104 doi:10.1186/1471-2105-9-104
Ya I am satisfied with kranthi Raj reply and it'll be lit more typical for you to create the script. Therefore I suggest you to go for these online webservers.
Hi Ganesh
Just like Drumashankar mentioned. You don't need special software. The only thing you need to do is to screen single/multiple compound(s) against a panel of protein.
Here is another docking server designed to predict potential targets against Alzheimer's disease. http://nps.jnu.edu.cn
Hello to everybody, I am writing a project that possess an inverse docking step. I am looking for someone to want to help me with it in collaboration for the subsequent publications.
I am from Argentina and I am open to write international projects.
Cheers,
Samuel
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