DrugDiscovery@Home Project

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Gavin Shaw
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DrugDiscovery@Home Project

Post by Gavin Shaw » Thu May 07, 2009 1:01 am

Anything related to DrugDiscovery@Home.

DrugDiscovery@Home Homepage

Description:
First of all we are looking for compounds which can be used for regulation of adult stem cells activities in so called “stem niches”. Stem niches – are the compartments in which adult stem cells are placed all over the human body. These niches are widespread in most of the tissues (it can be hypothesized that in all of the tissues) in old peoples as in young ones (but in old in less extent). These are partially stem cells, which participated in embryonal development and then stopped the generation of new tissues and went to the dormant (sleep) state and are awakened time to time in some tissues by stem niche signals.

The uncontrolled division of such stem cells leads to cancer transformation and immortalization. From the other side the mechanisms in human body which control stem cells in stem niches prevent the direct usage of stem cells in regenerative therapy (and they must! – to prevent cancer and uncontrolled division). So our hypothesis is that the fine-tuned regulation of balance between regenerative activity of stem cells and cancer can be achieved by targeted regulation of growth factors and signaling proteins, regulating activities of stem cells in stem niches.

According to our hypothesis such fine tuned regulation can be used for treatment of various types of cancer and for induction of regeneration of different types of tissues even in old organisms. The first protein candidates for such regulation are the next signaling pathways: Wnt/Frizzled, Shh/Smoothened and Notch. The next goals are of course dozens of related growth factors.

More information on this project can be found at their homepage.

Team attach: Calm Chaos
DrugDiscovery@Home - BoincStats

Gavin.
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Post by Labbie » Thu May 07, 2009 1:54 am

I tried to attach, but was told they werem't accepring new accounts.
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Post by Gavin Shaw » Tue May 12, 2009 1:09 am

12 May 2009 AEST:

In the process of converting some 600,000 molecular structures to a pdbqt format for analysis with Autodock.
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Post by Labbie » Fri May 29, 2009 7:25 pm

News

May 29, 2009
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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Post by Gavin Shaw » Mon Oct 26, 2009 12:24 am

News from the 13th Oct 2009:

We are preparing to migrate the server to a host provided by IronScale. Workunits are disabled at the moment.
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Post by Gavin Shaw » Mon Oct 26, 2009 12:25 am

News from the 14th Oct 2009:

Please, join the discussion at our meassage boards on organizational questions of the legal entity for the Drugdiscovery@home project and project status.
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Re: DrugDiscovery@Home Project

Post by Gavin Shaw » Sun Jun 06, 2010 10:52 pm

06 Jun 2010:

Protein-ligand interactions evaluation using distributed volunteer computing project Drugdiscovery@home has been accepted for poster presentation at the NCI/NCRI Joint Conference Biomedical Informatics without Borders, being held at the Doubletree Bethesda Hotel, Bethesda MD, June 21-22, 2010.
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Re: DrugDiscovery@Home Project

Post by Gavin Shaw » Thu Jul 22, 2010 3:25 am

20 Jul 2010:

Hydrogen@Home is raising money to build GPU support for OpenMM GROMACS. These modifications will be made available to other projects including DD@H. We encourage people to contribute to this development
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