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Unread postPosted: 15.09.08 11:16 
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FAQ-Leser
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Hurrikan "Ike" scheint auch die University of Texas Medical Branch (UTMB) getroffen zu haben, oder zumindest scheint der Betrieb dort erheblich durch die Geschehnisse beeinträchtigt! Die "Discovering Dengue Drugs Together-Homepage" ist nicht erreichbar und auf der Startseite der Universität (http://www.utmb.edu) werden nur "Alert Information" ausgegeben... :worry:

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Unread postPosted: 15.09.08 22:28 
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Die UTMB hat es (nur ca. 500m vom Beach entfernt) voll erwischt!
Die Updates und Reports auf http://www.utmb.edu lesen sich wie ein Tagebuch über die Vorbereitungen, die Evakuierung und Notpläne, den Sturm, die Schäden, den Notbetrieb, ...

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Unread postPosted: 30.09.08 10:25 
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Prozessor-Polier
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Aus dem Forum:

A quick update on our project, which has been greatly impacted by Hurricane Ike which tore through the Houston-Galveston area ~16 days ago. Houston, the 4th largest city in the US, is recovering quickly from this massive storm. Power is largely restored to most residents (including my own home). It was very strange and quiet to be without electricity and internet for many days.

Unfortunately, Galveston and the University of Texas Medical Branch (where this project originates) were very hard hit by the hurricane's storm surge. Fortunately, prudent preparations kept most residents and staff safe. However, it will take Galveston many months (to years) to completely rebuild and recover from the storm's destruction. Galveston remains largely without power, and water is problematic in many places. Yet, even without power, cleanup and rebuilding operations are in full swing.

Our current priority remains getting our students and researchers dug out, dried off, and moved into new apartments (in my lab alone, over 60% of the students/post-docs lost their apartments and all possessions due to flooding and wind damage). Once our staff and their families are secured and resettled, the campus repaired, and our labs reopened, our DDDT project will return to full production mode. We are working hard to have this accomplished within the next 2 weeks. Until then, thank you for your help and keep your computers dry and crunching fast.

All my best,
Stan

P.S. Pre-Ike, we tested the first set of dengue and West Nile inhibitors predicted by our Phase 1 calculations (0202 and 0203 workunits). We were delighted to find several compounds that were highly effective protease inhibitors. Once our labs reopen, we will test the antiviral activity of these compounds in cell culture. We are very encouraged by the preliminary Phase 1 results, and look forward to starting our Phase 2 calculations to improve the success rate of our antiviral drug discovery calculations.

Frei übersetzt auf Deutsch für alle welche nicht so sattelfest in englisch sind (es gilt der englische Originaltext...):

Ein kurzes Update über unser Projekt, welches schwer durch den Hurricane Ike betroffen ist, welcher vor 16 Tagen die Gegend Houston-Galveston getroffen hat. Houston, die 4. grösste Stadt der USA, erholt sich schnell von diesem massiven Sturm. Elektizität ist für die meisten Bewohner wieder verfügbar (auch für mein Haus). Es war sehr seltsam und ruhig, für mehrere Tage ohne Strom und Internet zu sein.

Unglücklicherweise sind Galveston und die University of Texas Medical Branch (wo dieses Projekt beheimatet ist) seht stark vom Hurricane betroffen. Glücklicherweise haben kluge Vorbereitungen die meisten Bewohner und Mitarbeiter (staff) vor Schaden bewahrt. Totzdem wird Galveston viele Monate (bis Jahre) brauchen um wieder aufgebaut zu werden und sich von den Zerstörungen des Sturms zu erholen. Galveston ist weitgehend noch immer ohne Strom und Wasser ist an vielen Orten noch ein Problem. Bereits jetzt sind die Aufräumarbeiten voll im Gange, obwohl man noch keinen Strom hat.

Unsere prioritäre Aufgabe bleibt unsere Studenten und Forscher ?auszugraben?, ?abzutrocknen? und in neue Apartments zu bringen (alleine in meinem Labor haben über 60% der Studenten und Post-Docs ihre Apartments und Ihren Besitz durch Überschwemmungen und Sturmschäden verloren). Sobald unsere Mitarbeiter (Staff) und ihre Familien in Sicherheit sind und sich wieder eingelebt haben, der Campus repariert ist und unsere Labors wieder geöffnet, wird DDDT wieder voll produktiv laufen. Wir arbeiten hart um das in 2 Wochen zu erreichen. Bis dahin danke für eure Hilfe, behaltet eure Computer trocken und cruched schnell.

Alles Gute
Stan

PS: Vor Ike testeten wir unser erstes Set von Dengue und West Nil Blockern/Hemmern welche durch die Phase I Berechnungen bestimmt wurden (0202 und 0203 Wus). Wir sind erfreut mehrere Substanzen gefunden zu haben, welche sehr effektive Blocker sind. Sobald unsere Labors wieder geöffnet sind, werden wir die antivirale Wirkung dieser Substanzen in Zellkulturen testen. Wir sind sehr ermutigt über die Phase 1 Resultate und freuen uns die Berechnungen der Phase 2 zu starten um die Erfolgsrate der antiviralen Medizin zu steigern.



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Unread postPosted: 30.09.08 16:24 
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Roff wrote:
We were delighted to find several compounds that were highly effective protease inhibitors. Once our labs reopen, we will test the antiviral activity of these compounds in cell culture.

Das hört sich sehr ermutigend nach fundierter Forschung an, nach meinen climateprediction-WUs kommt wieder WCG dran, klare Sache.

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Unread postPosted: 24.04.09 20:29 
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DDDT - Status update vom 13. April 2009 im WCG-Forum!!! :good:
http://www.worldcommunitygrid.org/forums/wcg/viewthread?thread=24329&offset=10

Quote:
Hello again from Galveston! Below is a status update that will be posted on our web site update board. However, I thought I would get it out via the forums as well.

Thanks again for all your help!

- Stan coffee
______
April 13, 2009

We are back on track with our DiscoveringDengueDrugs-Together project, and life is returning to some semblance of normalcy in Galveston and at UTMB. We thank World Community Grid members for their support and patience during the past 6 months following Hurricane Ike.

The Autodock phase (Phase 1) of our dengue project is now complete! We have screened (i.e., computationally tested) more than 3 million potential drug candidates against each of 10 different proteases from dengue, West Nile, and hepatitis C viruses. Inhibiting these target proteases prevents virus replication. We continue to analyze the 30 million Phase 1 results. We are using biochemical, cell-based, and small animal assays to characterize some of the inhibitors identified during our recently completed Phase 1 calculations.

The CHARMM phase (Phase 2) of our project is being optimized at Texas Advanced Computer Center (TACC; http://www.tacc.utexas.edu) in Austin, Texas and ported by IBM to the grid for testing. This phase will perform extensive molecular dynamics calculations to accurately calculate binding free energies for the best potential drug candidates predicted in Phase 1. These calculations will significantly reduce the number of false positive predictions produced in Phase 1, thereby increasing our success rate for identifying experimentally active compounds from ~10% to >80%. Launch of Phase 2 is anticipated for early summer, 2009.

As we prepare to launch Phase 2 of our project to discover drugs for dengue, West Nile, and hepatitis C infections, we will also begin Autodock calculations in support of a collaborative drug discovery effort against leishmaniasis disease. This work is done in partnership with researchers from Universidad de Antioquia, Colombia (http://www.pecet-colombia.org). Leishmania affects ~12 million people throughout the tropics, subtropics, and southern Europe, with ~2 million new cases each year. The disease is spread by the bite of sand flies infected the Leishmania parasite. Although a handful of antimicrobials exist to treat some forms of leishmaniasis, concerns about their modes of delivery, effectiveness, resistance, and cost spur our drug discovery efforts into novel anti-Leishmania drugs. For this project, scientists in Colombia identified a set of enzymes critical for survival of the Leishmania parasite. Atomic structures exist for each of these enzymes, this allowing us to computationally examine our drug candidate library for compounds that prevent the Leishmania enzymes from functioning.

As reported earlier, this project is now running better than ever before. We have moved our main computational tasks (those required to prepare workunits for World Community Grid and analyze results returned from the grid) to the supercomputers housed at TACC. This establishes a nice synergy between one of the world?s most powerful supercomputers and the world?s largest computer grid. Our storage capabilities have increased in size and robustness with redundant storage occurring at TACC and locally on our 12 TByte IBM DS3200 disk system.

As stated before, we greatly appreciate the computer time that has been unselfishly provided by the members of the World Community Grid!

- Stan


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Unread postPosted: 27.07.09 19:56 
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Prozessor-Polier
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DDDT Phase 1 ist so gut wie beendet. Es wurden alle WUs der Phase 1 versendet und sollten in den nächsten Tagen fertig berechnet sein. Anschliessend werden nur noch ein paar einzelne 'repair-jobs' versendet werden.


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Unread postPosted: 31.08.09 12:14 
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Phase 1 ist jetzt offiziell beendet. Man hat einige tausend Wirkstoffkandidaten aus den 3 Millionen Molekülen herausgefiltert, die jetzt in Phase 2 näher untersucht werden.

http://www.worldcommunitygrid.org/forum ... read=26616

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