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Message boards : News : New publication: Complete protein–protein association kinetics!

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Stefan
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Message 47402 - Posted: 12 Jun 2017 | 9:20:39 UTC
Last modified: 12 Jun 2017 | 9:59:33 UTC

Hey all,
some astute members might have noticed we got a new publication out? https://goo.gl/MoIi0d

You remember these BARNA/BNBS workunits? Well, we finally made it :)

Frank and Nuria did an incredible work with our simulations and got the paper published in Nature Chemistry which is a top-top journal in our field!

To thank you all for this incredible contribution we will be handing out badges soon and you have my (and our group's) heartfelt thanks to all of you!

ps. A layman news piece on the article https://www.upf.edu/home/-/asset_publisher/UI8Z8VAxU47P/content/id/8788860/maximized

[CSF] Thomas H.V. Dupont
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Message 47403 - Posted: 12 Jun 2017 | 9:27:30 UTC

Congrats to all the GPUG Scientists!
It's always nice to see that the processing of WU's takes the form of a scientific publication in a world-renowned journal, no matter how long it takes.
Looking forward to seeing the badges awarded.
Thanks for the heads-up Stefan!
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Toni
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Message 47405 - Posted: 12 Jun 2017 | 9:56:08 UTC - in response to Message 47403.
Last modified: 13 Jun 2017 | 9:10:34 UTC

I have not been involved in the study, so I think I can objectively stress how significant it is. In spirit, it's broadly analogous to the characterization of interactions between drugs (small molecules) and proteins we pioneered in 2011 - except that this time interactions of proteins with proteins are addressed. On the one hand, this is many orders of magnitude more difficult, given the sizes and flexibilities of the objects involved; but it is extremely significant, because while the discovery of small-molecule inhibitors is somewhat relenting, intervening on relatively larger interaction surfaces is seen as a promising way ahead.

And, by the way, badges should have appeared by now :)

So, congratulations to authors and cruchers!

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Message 47406 - Posted: 12 Jun 2017 | 9:59:16 UTC - in response to Message 47405.

So, congratulations to authors and cruchers!

+1 :)
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Message 47408 - Posted: 12 Jun 2017 | 11:13:35 UTC

Congratulations everyone!

[CSF] Aleksey Belkov
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Message 47409 - Posted: 12 Jun 2017 | 12:14:51 UTC - in response to Message 47402.

Great job!

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Message 47412 - Posted: 12 Jun 2017 | 14:22:23 UTC - in response to Message 47403.
Last modified: 12 Jun 2017 | 14:23:04 UTC

So, congratulations to authors and cruchers!

+1

Michael.

P.S.:
Looking forward to seeing the badges awarded.

Yes, they already have been awarded as you can see in my profile (this is actually the first and so far only GPUGRID publication I have contributed to).
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[CSF] Thomas H.V. Dupont
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Message 47414 - Posted: 12 Jun 2017 | 18:21:59 UTC - in response to Message 47412.

Yes, they already have been awarded as you can see in my profile (this is actually the first and so far only GPUGRID publication I have contributed to).

GG Michael! :)
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Message 47418 - Posted: 13 Jun 2017 | 5:08:39 UTC
Last modified: 13 Jun 2017 | 5:12:42 UTC

VERY excited to have been in the top 1% of crunchers for this! I've already linked the paper on my social media accounts, but I was looking for an entry on this site's Science page and was unable to find it. I'm guessing it just hasn't been added yet. I'd like to send a link to that as well to my contacts so they can see what I (we) have been up to and can get excited to join in as well.

P.S. My account RAC is low but that's only because I'm now crunching under the grcpool.com account. I have two full-time hosts (one w/ 1080Ti, the other w/ 1080) dedicated to GPUGrid. This project is still my top priority out of all BOINC projects.

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Message 47425 - Posted: 13 Jun 2017 | 10:14:27 UTC

Well done. Excellent news.

[CSF] Thomas H.V. Dupont
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Message 47426 - Posted: 13 Jun 2017 | 10:37:51 UTC - in response to Message 47418.

[...] but I was looking for an entry on this site's Science page and was unable to find it. I'm guessing it just hasn't been added yet [...]


Same thing for the two previous publications which have still not been updated.

- Multibody cofactor and substrate molecular recognition in the myo-inositol monophosphatase enzyme​ (neural disorders)
- The pathway of ligand entry from the membrane bilayer to a lipid G protein-coupled receptor (cancer)
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Message 47427 - Posted: 13 Jun 2017 | 10:49:02 UTC

Great news! Thank you for your hard work :)

[CSF] Thomas H.V. Dupont
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Message 47498 - Posted: 25 Jun 2017 | 17:28:39 UTC

Stefan (or Gianni under ML) : is the full version of the publication available elsewhere (free)?
Thanks so much for your reply :)
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Message 47499 - Posted: 26 Jun 2017 | 11:07:52 UTC - in response to Message 47498.

Stefan (or Gianni under ML) : is the full version of the publication available elsewhere (free)?
Thanks so much for your reply :)


+1

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Message 47503 - Posted: 26 Jun 2017 | 22:19:30 UTC

Congratulations!, fantastic feeling seeing that our work becomes real science!

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Message boards : News : New publication: Complete protein–protein association kinetics!