SiDock@home

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Alez
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#1 SiDock@home

Post by Alez » Fri Nov 13, 2020 8:04 pm

About SiDock@home project

COVID.SI is a citizen science project to fight against SARS-CoV-2 by distributed computing.

In our project, we are looking for ligands – small molecules that can successfully bind to protein targets and modulate a specific process that is crucial for the virus biochemistry. Together we have developed software that can be easily installed on your computer to help participants help find the cure for today’s invisible enemy. Based on molecular docking, the ideal ligand should be complementary in shape and properties to the binding site of the target biomolecule. However, the complementarity of small molecules is only one prerequisite for the use of a molecule as a drug.

The search for the right molecule is best illustrated by finding a small needle in a huge haystack. It is a much more difficult problem because of the number of possible molecular structures. The amount of all possible molecular structures is also called the chemical universe – the size of this abstract space can be estimated to be 10 to the power of 80. There are many galaxies in this chemical universe, and one of the galaxies is a galaxy with potentially pharmacologically active molecules. The method for this purpose is called virtual screening. In principle, the larger the part of the chemical universe that we study, the higher the likelihood of finding a potential cure for the coronavirus.

You can help with your computer. With the help of BOINC, you will download a subset of compounds on your computer, examine the compounds in the context of the studied target and send the results to a server where they are collected for later analysis.

Project presentation "COVID.SI: Citizen science project to fight against SARS-CoV-2 by distributed computing" [En]
Project presentation "COVID.SI: Проект гражданской науки для борьбы с SARS-CoV-2 при помощи распределенных вычислений" [Ru]
The best form of help from above is a sniper on the rooftop....

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Alez
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#2 Re: SiDock@home

Post by Alez » Fri Nov 13, 2020 8:10 pm

For account creation please use Crunch_4Science invitation code. It is not needed when registering by BOINC Manager.

Windows application requires theMicrosoft Visual C++ Redistributable for Visual Studio 2019 .

Project can be found at https://fightcovid.boinc.ru/sidocktest/

TSBT have been set up on this project.
The best form of help from above is a sniper on the rooftop....

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Alez
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#3 Re: SiDock@home

Post by Alez » Fri Nov 13, 2020 8:13 pm

Applications

Test of RxDock on BOINC

Microsoft Windows running on an AMD x86_64 or Intel EM64T CPU
Linux running on an AMD x86_64 or Intel EM64T CPU
Intel 64-bit Mac OS 10.5 or later

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Dirk Broer
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#4 Re: SiDock@home

Post by Dirk Broer » Fri Nov 13, 2020 8:59 pm

Doesn't it need a redistributable Microsoft Studio 2019 runtime or so?
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Bryan
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#5 Re: SiDock@home

Post by Bryan » Fri Nov 13, 2020 9:40 pm

Dirk Broer wrote:
Fri Nov 13, 2020 8:59 pm
Doesn't it need a redistributable Microsoft Studio 2019 runtime or so?
Yes .... Linux runs as is and is quite a bit faster.
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#6 Re: SiDock@home

Post by scole of TSBT » Thu Jan 07, 2021 3:43 pm

SiDock@home is out of test and in production with a separate project and website https://www.sidock.si/sidock/

It's run by Natalia and hoarfrost, the same folks that run/ran rakesearch

The credit is meager :(
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#7 Re: SiDock@home

Post by Alez » Thu Jan 07, 2021 3:44 pm

Credit screw as they are too lazy to do anything other than accept the standard.

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#8 Re: SiDock@home

Post by Dirk Broer » Thu Jan 07, 2021 4:29 pm

scole of TSBT wrote:
Thu Jan 07, 2021 3:43 pm
SiDock@home is ... run by Natalia and hoarfrost, the same folks that run/ran rakesearch
If 'running' could be applied to Rakesearch, at the moment...

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