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Message boards : Number crunching : GERARD_CryptoScout_run workunits

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Profile Retvari Zoltan
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Message 48743 - Posted: 26 Jan 2018 | 8:38:09 UTC

Dear Gerard,

Please explain the strange name of this batch.
(BTW there was a previous batch with a similar name, but those workunits failed right after the start. The present batch is working.)

Best Regards,
Zoltan

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Message 48746 - Posted: 26 Jan 2018 | 13:02:58 UTC - in response to Message 48743.

e1s11_generator-GERARD_PM_71NQAN17-0-1-RND5656
http://www.gpugrid.net/workunit.php?wuid=13100885

This one failed in a couple seconds for all users that received it.

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Message 48747 - Posted: 26 Jan 2018 | 13:47:35 UTC - in response to Message 48743.

Dear Retvari,

I agree the name is quite confusing, but it has nothing to do with cryptocurrencies :P. In fact these are tests of an application that I have developed to detect "cryptic" cavities in proteins, which are cavities or pockets that are not visible in crystallographic structures. By applying a MD simulations in presence of benzene, we detect binding hotspots of benzene and we track the opening of any cryptic cavity. The simulations are sent automatically from the front-face that I have created, which is available at http://playmolecule.org/cryptoScout/ and where you are welcome to submit work if you have any particular protein you are interested about.

I hope this solves your concerns :)

Best,

Gerard M.

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Message 48748 - Posted: 26 Jan 2018 | 14:53:14 UTC - in response to Message 48747.
Last modified: 26 Jan 2018 | 15:06:07 UTC

you are welcome to submit work if you have any particular protein you are interested about.


May I also breathe a wish... my son has a single point missense mutation in the HCF1 host cell factor gene/protein. So I have great interest in any research on this particular protein. That said, this one is HUGE and some of its sections not fully understood yet. But what we know is that it controls the B12 metabolism and is somehow involved in Herpes simplex virus activity. Furthermore, some HCF1 associated proteins are involved with HIV reactivation. So HCF1 (or HCFC1) research is also of public interest indeed.

Well, maybe later perhaps, in a couple of years?

https://en.wikipedia.org/wiki/Host_cell_factor_C1
____________
I would love to see HCF1 protein folding and interaction simulations to help my little boy... someday.

Profile Retvari Zoltan
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Message 48760 - Posted: 29 Jan 2018 | 17:23:26 UTC - in response to Message 48747.

I hope this solves your concerns :)
It does. Thank you for your explanation.

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Message 48764 - Posted: 30 Jan 2018 | 10:00:19 UTC
Last modified: 30 Jan 2018 | 10:03:49 UTC

you are welcome to submit work if you have any particular protein you are interested about.


Gerard, I apologize. From your non-response I read that this invitation was a personal one to Zoltan only. Pardon me for having jumped in with my personal matters.
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I would love to see HCF1 protein folding and interaction simulations to help my little boy... someday.

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Message boards : Number crunching : GERARD_CryptoScout_run workunits