NRG@Home

Hi BOINC volunteers,

We are a fairly new project that has been running for about 3 years or so now. We are an academic group located in Université de Sherbrooke (Québec, Canada) and NRG stands for Najmanovich Research Group. Our project is already listed on BOINCstats: http://boincstats.com/en/stats/126/user/list/.

The address of the project is the following: http://boinc.med.usherbrooke.ca/nrg

As some of you may already know, we are mostly interested into drug design. We have been developing FlexAID, a method that allows to predict if a molecule may act/bind on a particular target. More info on our method can be found here: http://bcb.med.usherbrooke.ca/boinc.php.

We are currently investigating if our method can distinguish between true binders and non-binders. We are doing so for a lot of targets mentioned below[*]. We have nearly a million of tasks to execute and NRG needs your help!

We have had a few issues with FlexAID regarding Computation Errors in the past. However, those were all resolved through the many years of development.

Our method will soon be published in a scientific journal, and we wouldn't be here today if you, BOINC users, have not been there. We are very grateful and thanks a lot for your support.

Francis Gaudreault
Ph.D student & BOINC Administrator
[*] ACE, angiotensin-converting enzyme; AChE, acetylcholinesterase; ADA, adenosine deaminase; ALR2, aldose reductase; AmpC, AmpC beta-lactamase; AR, androgen receptor; CDK2, cyclin- dependent kinase 2; COMT, catechol O-methyltransferase; COX-1, cy- clooxygenase-1; COX-2, cyclooxygenase-2; DHFR, dihydrofolate reductase; EGFr, epidermal growth factor receptor; ER, estrogen receptor; FGFr1, fibroblast growth factor receptor kinase; FXa, factor Xa; GART, glycinamide ribonucleotide transformylase; GPB, glycogen phosphorylase beta; GR, glucocorticoid receptor; HIVPR, HIV protease; HIVRT, HIV reverse transcriptase; HMGR, hydroxymethylglutaryl-CoA reductase; HSP90, hu- man heat shock protein 90; InhA, enoyl ACP reductase; MR, mineralo- corticoid receptor; NA, neuraminidase; P38 MAP, P38 mitogen activated protein; PARP, poly(ADP-ribose) polymerase; PDE5, phosphodiesterase 5; PDGFrb, platelet derived growth factor receptor kinase; PNP, purine nucleoside phosphorylase; PPARg, peroxisome proliferator activated receptor γ; PR, progesterone receptor; RXRa, retinoic X receptor R; SAHH, S-adenosyl-homocysteine hydrolase; SRC, tyrosine kinase SRC; TK, thymidine kinase; VEGFr2, vascular endothelial growth factor receptor; ATP, adenosine-5′-triphosphate; beta-GAR, beta-glycinamide ribonucleotide; NAD(P)-(H), nicotinamide adenine dinucleotide (phosphate)-(reduced); PLP , pyridoxal-5′-phosphate.

stats have been here for a long time http://stats.free-dc.org/stats.php?page=proj&proj=nrg

Francis, see my reply on the BOINC message boards --> http://boinc.berkeley.edu/dev/forum_...id=53956#53956

Cheers,

Al.

What values do you suggest?

I would have thought at least double the number per core as the limit to WUs in progress. Even my old dinosaurs can eat through the maximum number currently allowed in half a day, so fast machines are probably only able to cache a few hours.

The deadline would ideally be 5 days minimum, but it's not such a big problem now as the latest batch seem to run for a more consistent length of time. The earlier ones used to occasionally run for a long time (usually while at 100% complete) which confused the BOINC client and forced the remaining WUs into panic mode (high priority) and starved other projects that were also running.

Cheers,

Al.

Ok thanks a lot for your suggestions. We will make adjustments.