I want to proceed high throughput screening of my protein. Since we don't have any subscribed softwares for HTS, kindly provide the tools for free HTS for academic use.
Thanks in advance
Hi Rohit,
Maybe you want to phrase your question slightly better. I'm not sure what you mean by high throughput of your protein. You mean by MS? or chemically with inhibitors?
Richard
Dear Richard,
Thanks for your valuable response.
I have a enzyme and want to find the best inhibitor by computational chemistry approach like high-throughput screening and virtual screening. Then i want to ask the free tools which is usable in such type of analysis.
Hi Rohit,
Perhaps, you might be interested in molecular docking software such as AutoDock, Dock, or AutoDock Vina (see links below) which will allow you to perform "high-throughput" virtual screening of a large compound library against your enzyme of interest. The compound library that you could use in this screening could be the ZINC database which is comprised of 2.7 million compounds that you could purchase afterwards if they are identified as a promising hit.
Best regards,
Chanin
http://autodock.scripps.edu/
http://dock.compbio.ucsf.edu/
http://vina.scripps.edu/
http://zinc.docking.org/
You can try high-throughput virtual screening at www.chemosophia.com (calculation of biological activity)
Dear Rohit
If I am not mistaking you are looking for the way to analyse your results, I think you need to refer to some statistical methods for analysis of HTS data. I am doing also HTS and I found that it is better if you follow an analysis workflow starting with normalization of your results (calculate the z-score or robust z-score or B-score), and then proceed to calculation of quality metrics (Z' or Z factor or Strictly Standardized Mean Difference SSMD....) so after these steps you can identify the hits (positives screening). all these calculation you can do yourself or using free programs.
Best Regards!
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