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Ninth and tenth targets
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Author | Message |
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Send message Joined: 9 Oct 20 Posts: 185 Credit: 2,753,056 RAC: 4,023 |
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 |
Send message Joined: 24 Oct 20 Posts: 6 Credit: 743,228 RAC: 0 |
Congratulations ! :-) |
Send message Joined: 3 Dec 20 Posts: 6 Credit: 1,751,630 RAC: 2,222 |
Definitely ... Congratulations |
Send message Joined: 24 Oct 20 Posts: 20 Credit: 10,159,102 RAC: 0 |
WOO HOO!!! |
Send message Joined: 11 Oct 20 Posts: 332 Credit: 25,130,680 RAC: 12,766 |
Hi! A new version of CmDock application has been released. Progress reporting have been fixed. :) |
Send message Joined: 16 Aug 21 Posts: 40 Credit: 16,180,586 RAC: 15,765 |
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. |
Send message Joined: 9 Oct 20 Posts: 185 Credit: 2,753,056 RAC: 4,023 |
Update: the 10th target goes in a tight bundle with the 9th :) |
Send message Joined: 1 Jan 21 Posts: 22 Credit: 3,367,076 RAC: 1,808 |
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 |
Send message Joined: 11 Oct 20 Posts: 332 Credit: 25,130,680 RAC: 12,766 |
Hi! ARM+Linux application was updated today. :) |
Send message Joined: 23 Nov 20 Posts: 28 Credit: 771,948 RAC: 0 |
Congratulation to the whole Team... Well done ! |
Send message Joined: 1 Jan 21 Posts: 22 Credit: 3,367,076 RAC: 1,808 |
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. |
Send message Joined: 11 Oct 20 Posts: 332 Credit: 25,130,680 RAC: 12,766 |
Last bunch of 3CLpro_v8 tasks were sent and we return to fifth target - Eprot_v1 (run 2). Thank you for project support! |
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