Ninth and tenth targets

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Profile Natalia
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Message 1353 - Posted: 13 Nov 2021, 9:39:16 UTC
Last modified: 20 Nov 2021, 11:19:45 UTC

Dear participants,

We have a new target which resides at a novel allosteric site on SARS-CoV-2 main protease. The site was identified by MixMD method [1] with collaboration at College of Pharmacy, University of Michigan. Target preparation was helped by Jelena Tošović (Slovenia).

The two upcoming targets and results will complement the allosteric sites identified with X-ray screening by Sebastian Günther et al. [2]. The targets have good chances for wet-lab testing as soon as possible and further experimental support.

(We will again temporarily pause processing of Target 5)

With best wishes,
Team SiDock@home

[1] Phani Ghanakota and Heather A. Carlson. Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems. The Journal of Physical Chemistry B 2016 120 (33), 8685-8695. DOI: 10.1021/acs.jpcb.6b03515
[2] Sebastian Günther et al. X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease. Science 2021 372 (6542), 642-646. DOI: 10.1126/science.abf7945
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Profile Plejaden
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Message 1355 - Posted: 13 Nov 2021, 20:15:26 UTC

Congratulations ! :-)
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Profile Bill F
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Message 1356 - Posted: 13 Nov 2021, 23:46:58 UTC - in response to Message 1353.  

Definitely ... Congratulations
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mikey
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Message 1357 - Posted: 14 Nov 2021, 3:21:00 UTC

WOO HOO!!!
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hoarfrost
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Message 1361 - Posted: 19 Nov 2021, 22:34:24 UTC

Hi! A new version of CmDock application has been released. Progress reporting have been fixed. :)
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Bryn Mawr

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Message 1362 - Posted: 20 Nov 2021, 0:34:14 UTC - in response to Message 1361.  

Hi! A new version of CmDock application has been released. Progress reporting have been fixed. :)


Wonderful, thank you. It might not have affected the function but it was very annoying.
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Profile Natalia
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Message 1363 - Posted: 20 Nov 2021, 11:20:10 UTC

Update: the 10th target goes in a tight bundle with the 9th :)
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Message 1364 - Posted: 21 Nov 2021, 8:06:34 UTC - in response to Message 1361.  

Hi! A new version of CmDock application has been released. Progress reporting have been fixed. :)


hoarfrost: Will the Linux running on ARM, hardware FP version of the application be updated as well? At the moment it is still v1.00 - see https://www.sidock.si/sidock/apps.php

Thanks
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Message 1366 - Posted: 21 Nov 2021, 16:46:53 UTC

Hi! ARM+Linux application was updated today. :)
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Buro87 [Lombardia]

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Message 1369 - Posted: 22 Nov 2021, 8:29:38 UTC

Congratulation to the whole Team... Well done !
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ataraxy

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Message 1370 - Posted: 22 Nov 2021, 15:31:45 UTC - in response to Message 1366.  

Hi! ARM+Linux application was updated today. :)

Thanks hoarfrost and others!

I have set my Raspberry Pis to allow new work, so I'll see how it goes.
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