Virtual Screening Project

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Virtual Screening Project

Postby ericjang » Sun Jan 22, 2012 8:22 pm

Hello!

I just finished my science fair project -- it is a Volunteer Computing Web Application that uses HTML5 Web Workers and runs Virtual Screening of chemicals entirely within the web browser and distributes work over the internet. I was wondering if anyone was interested in helping out with the project -- trying to reach my goal of 25000 molecules by the end of the month!

All you have to do is click the button and let it sit there while you go about your usual business on the computer. It comes with features for sharing it with your friends/co-workers and explanations of how the science works.

Thanks, I really appreciate it! (I'm trying to build a sizable internet community to power through the large dataset)

http://socialdocking.appspot.com/
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Project Question: virtual screening using html5
Project Due Date: Jan 27
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Re: Virtual Screening Project

Postby hhemken » Tue Jan 24, 2012 12:31 pm

ericjang,

Good to see you got this far! It looks impressive. I'm running it now in chrome. How many molecules have you done so far?

Heinz
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Re: Virtual Screening Project

Postby ericjang » Tue Jan 24, 2012 2:38 pm

Hi Heinz, thanks so much! As of today it's somewhere around a couple thousand I think, x3 different receptors so ~6000 docking simulations. I'm trying to spread it around as fast as I can :/
ericjang
 
Posts: 83
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Project Question: virtual screening using html5
Project Due Date: Jan 27
Project Status: I am conducting my research

Re: Virtual Screening Project

Postby hhemken » Wed Jan 25, 2012 10:59 am

ericjang,

You should publish this somewhere. This is great work, Intel Competition quality.

Goog luck!
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Re: Virtual Screening Project

Postby ericjang » Wed Jan 25, 2012 2:28 pm

Hi Heinz,

Wow, publishing sounds like a really big deal! Do you have any recommendations on what kind of science journal this kind of project would be good for?

- Eric
ericjang
 
Posts: 83
Joined: Sat Nov 01, 2008 3:13 pm
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Project Question: virtual screening using html5
Project Due Date: Jan 27
Project Status: I am conducting my research

Re: Virtual Screening Project

Postby hhemken » Thu Jan 26, 2012 11:09 am

ericjang,

I'm not sure where you could publish. I have been out of academia for years and I know there are a lot more options these dayas than years ago. I suggest you talk with your science teacher(s) and maybe get in touch with local university professors who might know about molecular modeling.

Also, I suspect your application has a memory leak somewhere. After a couple of days chrome was using 40% of RAM. Make sure your code zeros out all the variables used in each ligand/receptor docking round.
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Re: Virtual Screening Project

Postby LeungWilley » Thu Jan 26, 2012 9:34 pm

Hi EricJang,
Have you tried contacting one of the distributed computing resources on the web? That should get your project "out there"
One such resource is http://distributedcomputing.info/projects.html You may want to contact the editor and they maybe able to get even more people
to help with getting through your data set.

Best of luck with getting to your goal!
Willey
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