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Author Topic: Project News - Drugdiscovery@home  (Read 38615 times)

Cruncher Pete

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Project News - Drugdiscovery@home
« on: May 08, 2009, 12:17:54 PM »

From Drugdiscovery at Home:

May 6, 2009
Our project Designs and Tests prospective drug-like compounds for regulation of signaling pathways involved in tissue engineeering and cancer. Currently we are benchmarking Autodock on Lysozyme and H1N1 Neurominidase.
« Last Edit: June 13, 2009, 08:49:29 PM by BF »
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kashi

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Re: Project Status
« Reply #1 on: May 08, 2009, 05:21:55 PM »

Just for interest, H1N1 neuraminidase is the 1918 influenza virus (commonly referred to as the Spanish flu). This was a strain of swine flu. So research such as this could be useful for finding out more about different influenza strains, such as the current swine flu.

Influenza

In the public's mind, influenza is often not seen as a specific disease, using interchangeable names for it like "flu", "gripe", and "virus". However, influenza is very different from an everyday low fever or "stomach flu". It is a respiratory infection, connected with a fever, coughing, and muscle aches, which often lasts a few days in duration.

While the disease itself is usually harmless, it can lead to exposure of the lungs to viral or bacterial pneumonia, which can prove fatal, especially for the very young, elderly, or infirm. There are three types of influenza, depending on their activity: type A, which is usually the cause of outbreaks; type B, which is linked to sporadic cases, and type C, which rarely causes disease reactions. The 1918 swine influenza A pandemic was one of the most lethal outbreaks of disease in recorded history.

The influenza virus is relatively unique in its ability to change its H and N molecules, called antigenic shift. For example, the swine flu of 1918 was named H1N1, while a later strain of influenza which was found to have changed its hemagglutinin molecules was named H2N1, and an even later influenza was found to have changed both its surface molecules (double antigenic shift), and was named H2N2. Scientists believe that these changes are due to the recombination of influenza viruses from different sources, such as if an influenza from a swine was mixed with an influenza from a person, which could create an new strain that has swine-type hemagglutinin and human-type neuraminidase. Spot mutations on the viral RNA, or missence mutations, also occur and are thought to cause slight changes in the make-up of the influenza virus, or antigenic drift. It has been observed that an antigenic shift usually occurs after a number of years, after the population has built up immunities to the old strain. It is common for a major outbreak to occur after a shift, and even more likely after a double shift, because the antibodies in the population are useless against these new forms of disease. Missence mutations usually cause smaller epidemics, since the change in the virus is not so great. It has also been found that older strains of influenza are likely to return to a population once the antibodies against them have mostly died out.
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Dingo

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Re: Project Status
« Reply #2 on: May 09, 2009, 02:43:20 AM »

I have added the invite code on the "members only" forumfor those that like to try Alpha projects.

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Cruncher Pete

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Re: Project News
« Reply #3 on: May 23, 2009, 09:13:23 PM »

From BOINCStats Forum:

20 May 09:

For the moment, while we debug lots of problems, account creation is disabled even. We hope that once we're on the new server, that a) the scheduler works and b) we can re-enable account creation (with invitation code).
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Cruncher Pete

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Re: Project News
« Reply #4 on: May 30, 2009, 08:01:43 AM »

From Drugdiscovery News Archive:

29 May 09:

Recently purchased a system with nvidia cards and will begin testing cuda code for GROMACS. We will also be running flexible docking simulations in the next few days. And then taking those results and simulating the docking complexes with GROMACS.
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Wang Solutions

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Re: Project News
« Reply #5 on: May 30, 2009, 09:31:58 AM »

Just a word of warning on this project. I have had to set to NNW for the moment as I was getting files - both upload and download - of over 60MB each, for work that ran for well under an hour. As I am currently over my monthly limit on ALL my connections for the first time ever, and since on two of them I get charged for uploads, this is not good!
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BF

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Re: Project News - Drugdiscovery@home
« Reply #6 on: July 13, 2009, 10:32:55 PM »

From the Drugdiscovery@Home news feed:

Monday, 13 July 2009 10:00 AM

We submitted a large batch of flexible docking last night. Almost 200,000 workunits pending. Come and kill this queue and please if there are any Macs, by all means attach. -Jack
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BF

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Re: Project News - Drugdiscovery@home
« Reply #7 on: July 15, 2009, 03:38:34 PM »

From the Drugdiscovery@Home news feed:

Tuesday, 14 July 2009 10:00 AM

Happy Bastille Day! We are now looking at GPU integration for GROMACS. We may need a little help with this integration. Here is a thread I started which includes links to related code. There is a msvc solution for building gromacs and there are various pre-compiled libraries for integrating cuda called OpenMM, read more http://boinc.drugdiscoveryathome.com/forum_thread.php?id=84
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BF

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Re: Project News - Drugdiscovery@home
« Reply #8 on: July 18, 2009, 11:12:15 PM »

From the Drugdiscovery@Home news feed:

Friday, 17th July 2009 10:00

We are working on several things, resolving problems with certain ligands, experimenting with GPUs and studying the feasability of optimizing gromacs for PS3s for our project. I am also planning another BOINC Meetup. This time a social gathering on the US National Mall to watch Close Encounters of the 3rd Kind. Bring your SETI Shirts http://opensource.meetup.com/84/
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BF

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Re: Project News - Drugdiscovery@home
« Reply #9 on: August 04, 2009, 09:24:13 AM »

From the Drugdiscovery@Home news feed:

Project Down

Sunday, 2 August 2009 10:00 AM

We have a problem with a corrupt database
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BF

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Re: Project News - Drugdiscovery@home
« Reply #10 on: August 12, 2009, 08:24:12 PM »

From the Drugdiscovery@Home news feed:

Project Up

Monday, 10 August 2009 10:00 AM

We are in the process of restoring user data
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