Najmanovich Research Group

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Profile ShirleyDumol
I'm Shirley and I live with myy husband and our 3 children in Overmere, in the VOV south area.

My hobbies are Gaming, Cricket and...


New publication
Hi BOINC users,

It has been a while since I have given any news related to this project. Don't worry the project is not dead despite not having sent any jobs in the last couple of months.

We were very busy with some other important tasks. One of them was the publication of the method FlexAID you all have been running on your own machines for years. Your precious work has been rewarded as the method has been published in the peer-reviewed and high-quality Journal of Chemical Information and Modeling. For more information, please refer to
The article is open-access and all of you can access it.
As a matter of fact, here is another article we recently published in which many BOINC users contributed to:

We made sure to acknowledge, in the papers themselves, the work of all BOINC users who contributed to our project since the beginning. Your work has definitely allowed us to make our method much more accurate than we had hoped, and has helped advancing the field of drug discovery.

As for myself, I am currently in the process of writing my thesis. However, FlexAID still remains in development as another student (Louis-Philippe Morency) is taking over the project. LP will require your help in the upcoming months as to increase the performance of our method even more.

I hope many of you will comeback to contribute to the work of our group again :)

Francis Gaudreault
19 Jun 2015 18:11:19 UTC · Comment

Project fix
I have fixed the bugs related to 1) people not being able to send private messages and 2) people not being able to report a post as abusive. 23 Jun 2014 17:47:17 UTC · Comment

New batches
You are currently helping us to distinguish between molecules who can bind a particular target from molecules who can't. This type of experiment is called virtual screening and is one of the main applications of molecular docking. It is of particular interests to pharmaceutical companies as it can truly accelerate the process of drug discovery as to quickly identify potential binders.

The batch IDs are used to represent the different targets:

856 - Heat-shock protein 90 (HSP90)
1549 - Fibroblast growth factor receptor kinase (FGFR1)
3144 - Enoyl ACP reductase
3610 - Thrombin
3836 - Retinoic X receptor alpha
5775 - Poly(ADP-ribose) polymerase
6094 - S-adenosyl-homocysteine hydrolase
6895 - Factor Xa
7671 - HIV protease
8922 - Aldose reductase
9119 - Trypsin
9644 - AmpC beta lactamase
9953 - Hydroxymethylglutaryl-CoA reductase
11723 - Antagonists of Estrogen receptor
11912 - P38 mitogen activated protein kinase
12216 - Adenosine deaminase
12404 - HIV reverse transcriptase
12978 - Epidermal growth factor receptor (EGFR)
13460 - Neuraminidase
16308 - Androgen receptor
16890 - Glucocorticoid receptor
17749 - Agonists of Estrogen receptor
19592 - Tyrosine kinase SRC
20110 - Glycogen phosphorylase beta
20493 - Glycinamide ribonucleotide transformylase
20568 - Acetylcholine esterase
21619 - Cyclooxygenase 2
22545 - Peroxisome proliferator activated receptor gamma
23713 - Vascular endothelial growth factor receptor kinase
26580 - Platlet derived growth factor receptor kinase
27139 - Cyclooxygenase 1
27680 - Angiotensin-converting enzym
27848 - Phosphodiesterase V
28485 - Catechol O-methyltransferase
29229 - Progesterone receptor
30398 - Purine nucleoside phosphorylase
31072 - Thymidine kinase
31492 - Cyclin dependent kinase 2 (CDK2)
32589 - Mineralcorticoid receptor
23 May 2014 21:48:55 UTC · Comment

... more

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