Virtual Screening

[Vedran Miletić]

Hello,

The Virtual Screening topic has just been started at https://github.com/virtual-biohackathons/covid-19-bh20/wiki/VirtualScreening

Interested people are invited to join. Feel free to ask any questions you might have here.

Chees,

Vedran

[Björn Grüning]

Hi Vedran,

please have a look at this project: https://covid19.galaxyproject.org/cheminformatics/

It is covering a virtual screening approach against the Mpro, the one you linked already.

The website is linking to workflows and histories of an entire analysis and the results that we have obtained until now.

For the ranking of the result we are using a deep-learning approach that was also recently published, called TransFS (10.1101/2020.03.06.979625v1).

Everyone is able to run this analysis again if needed or with new fragments.

Let me know if you are interested in this and if we can help in any way,

Cheers,

Bjoern

[LJ.Garcia]

Hi there,

Please also create a slack channel and add yourself to the existing one @coordination. There will important messages for coordinators there.

Thanks!

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[Vedran Miletić]

Hi Björn,

Thanks for the information. Will do.

Cheers,
Vedran

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Vedran Miletić
vedran.miletic.net

[Vedran Miletić]

Hi,

I just did.

Chees,
Vedran

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Vedran Miletić
vedran.miletic.net