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Message boards : News : New publication: High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD

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Toni
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Message 47756 - Posted: 9 Aug 2017 | 8:47:03 UTC

Dears, we added badges for a recent methodological publication, High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD.

We describe a procedure to automatically set-up membrane simulations, and show it working en masse on all membrane structures published in the OPM database (hence the WU names you may have seen in the past).

Membrane proteins are quite interesting because they are involved in extra-cellular signalling, not to mention how many of them are drug targets; simulations are especially time-consuming to set-up, and we tried to develop tools to make the process less error-prone.

Thanks to all contributors!

[CSF] Thomas H.V. Dupont
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Message 47757 - Posted: 9 Aug 2017 | 8:55:43 UTC

Thanks for the heads-up, Toni!
Congrats to you, Stefan and Gianni :)
____________
[CSF] Thomas H.V. Dupont
Founder of the team CRUNCHERS SANS FRONTIERES
www.crunchersansfrontieres.org

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Message 47758 - Posted: 9 Aug 2017 | 11:02:46 UTC

Congratulations to all crunchers and scientists!

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Message 47759 - Posted: 9 Aug 2017 | 15:19:26 UTC

Great news! Thank you for your work :)

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Message 47761 - Posted: 9 Aug 2017 | 16:09:50 UTC

Congratulations!

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Message 47763 - Posted: 9 Aug 2017 | 16:38:25 UTC

Thanks Toni

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Message 47765 - Posted: 10 Aug 2017 | 0:18:25 UTC

Very cool! Is there a way to get a link to the PDF of the paper sent to the inbox of users who donated to make it happen?

$40 to access it for 48 hours seems pretty expensive given that so many of us paid so much in electrical and equipment costs to make this paper possible.

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Message 47766 - Posted: 10 Aug 2017 | 11:33:46 UTC - in response to Message 47765.

Very cool! Is there a way to get a link to the PDF of the paper sent to the inbox of users who donated to make it happen?

$40 to access it for 48 hours seems pretty expensive given that so many of us paid so much in electrical and equipment costs to make this paper possible.

+1

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Message 47767 - Posted: 10 Aug 2017 | 11:46:43 UTC

I don't think it is possible.

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Message boards : News : New publication: High-Throughput Automated Preparation and Simulation of Membrane Proteins with HTMD