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F@H Work Unit Updates - Page 3

post #21 of 50
Thread Starter 
Subject: New SMP Projects 8076, 8077, 8078, 8079, 8080
Quote:
Originally Posted by diwakar 
This project folds on SMP A4 (uni + multiprocessor) clients. STATS: Point: 201.6 ; timeout: 3.7; deadline:8.1;

This project performs simulations of the binding of drug molecules to the FK506-binding protein (FKBP). These drugs can serve as immunosuppressants and regulators of the cell cycle. We aim to simulate the binding pathways of these ligands to FKBP, with the intention of predicting their free energy of binding using Markov State Models.

Please let me know if there are any issues.
post #22 of 50
Thread Starter 
And another reduction to 752x WUs:

Subject: new beta SMP projects 752X
Quote:
Originally Posted by kasson 
Ok, we're updating the points, etc. based on two more benchmark runs. Let me know how these stack up with "typical" values once you run.
Points: 850
Deadline: 6.0
Preferred: 3.3
k-factor: 3.7

Thanks again for testing!
post #23 of 50
8103s are out in the wild now.
I have one and the TPF/PPD is very similar, if not equal to 8102.
post #24 of 50
They are nice units in other words, I hope I'm getting it after the current utnits.
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Frigg d.y.
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post #25 of 50
Thread Starter 
Kasson adjusted some settings for 8103 on the assignment servers. Guess it worked.
post #26 of 50
Thread Starter 
Double post but I see reports of 8103s becoming more common with similar PPD as 8102s.
post #27 of 50
Thread Starter 
Subject: New SMP Projects 8082 8083 released for beta testing
Quote:
Originally Posted by diwakar 
Project Description:
The Src family protein tyrosine kinases are enzymes that play key roles in transducing cellular signals regulating cell growth, differentiation, proliferation, migration and survival. These enzymes are responsible for diseases such as cancer in which the cells undergo uncontrolled growth and proliferation. Crystallographic x-ray structures of human c-Src in the inactive and active conformation allow clear structural distinctions to be drawn between the inactive and active states. Those x-ray structures, though rich in information about the two end-points of the activation event, do not show how the activation occurs and how it might be regulated. Simulations and computational models, at different levels of approximation, can complement some of the missing information about Src and help address these important questions. Characterizing conformational transitions in large biomolecules such as Src is challenging, however, because the slow processes are not easily observed during simple unbiased molecular dynamics (MD) simulations. To circumvent those difficulties, previous studies of Src by our collaborators have used biased sampling techniques such as string method to get the series of structures which show the structural changes involved in the activation process. In this project, we perform simulations of src kinase from the structures obtained using the string method to get a more detailed picture of the activation process. This project is similar to FAH projects 8041 and 8042.

Stats:
Points:238.49 ; timeout:4.4 days; deadline:9.5 days;

This project will run on both single and multiprocessor clients.

Please let me know if there are any issues.

Reports are low PPD so far.
post #28 of 50
Thanks for the update mmonnin. I'm personally most interested in GPU WUs myself so I'm still eagerly awaiting/hoping for news of the new core. smile.gif
Edited by juano - 2/24/13 at 2:54pm
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post #29 of 50
Thread Starter 
Join the beta team. They are looking for more members to test the core before open beta. No points tho
post #30 of 50
I probably should.
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