DrugDiscovery@home revival

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AndrewV

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Joined: 13 Feb 11
Posts: 20
Russia
Message 69962 - Posted: 5 Jun 2016, 5:33:03 UTC
Last modified: 5 Jun 2016, 5:36:42 UTC

Hello! Are there people with BOINC administration skills, who may be interested in revival of the DrugDiscovery@home project?

The idea behind the project - to use open source drug discovery software, integrated into single workflow. Bioinformatics+chemoinformatics.

Our goal is to start from disease and then get a drug by one click. From disease to a drug in one click, is that real? It becomes more and more real now as far as more drug discovery-related software becomes available and data integration develops very fast.
How to do that?
At first step the omics data is expected to be analyzed in order to select the proper biotargets, then biotargets are analyzed for X-ray structure availability and/or possibility to model the 3D structure.
Then we use big chemical databases, which we process in order to select drug-like compounds, prospective candidates and also to generate 3D coordinates for the docking.
Then pharmacophore screening, docking and molecular dynamics are expected to be used in order to select final compounds, candidates for the experimental trials.
This is the project in brief.
On project web site http://www.drugdiscoveryathome.com/
you can also find new presentation (although the web site itself is not new and needs to be updated) with description of the project.

As some ideas on getting more volunteers we consider giving to volunteers something like Ethereum-based tokens.

As far as I am mostly chemist/biologist, it would be nice to find people, interested to setup BOINC server part.
Also, maybe some people, which are experienced in blockchain/Ethereum/tokens.
GPU coders, programmers are wellcome to join, as we need to transfer code for several applications from CPU to GPU.
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boboviz
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Joined: 12 Feb 11
Posts: 410
Italy
Message 70052 - Posted: 8 Jun 2016, 16:16:07 UTC - in response to Message 69962.  

The source code is still this??
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AndrewV

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Joined: 13 Feb 11
Posts: 20
Russia
Message 70094 - Posted: 10 Jun 2016, 12:54:30 UTC - in response to Message 70052.  
Last modified: 10 Jun 2016, 12:55:21 UTC

Yes, this code can be used as well. Also I can make you a contact with our latest BOINC server administrator(who was helping us after Jack).
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Profile CM

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Joined: 13 Aug 15
Posts: 63
Message 70150 - Posted: 13 Jun 2016, 11:41:31 UTC
Last modified: 13 Jun 2016, 11:41:46 UTC

As some ideas on getting more volunteers we consider giving to volunteers something like Ethereum-based tokens.


Would you consider applying for whitelist status in the Gridcoin cryptocurrency system? https://www.gridcoin.us https://cryptocointalk.com/topic/29841-discussion-boinc-whitelist-monitoring/page-31
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AndrewV

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Joined: 13 Feb 11
Posts: 20
Russia
Message 70524 - Posted: 28 Jun 2016, 10:10:50 UTC - in response to Message 70150.  

Yes, we will be very happy to apply. But we don't have a project yet. We need to find some developers. Do you have any ideas, where to get people with skills in BOINC server administration?
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Message boards : Projects : DrugDiscovery@home revival

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