We have fed GPUGRID with some new WU to keep you guys busy this christmas. This time we are simulating the binding of a small ligand to a protein called CXCL12, member of the family of chemokines. This protein appears to be altered in cancer and other inflammatory diseases. Happy Chrunchmas!

Merry Christmas Gerard & skgiven ! :)
And Merry Christmas and Happy Crunchmas to everyone !
Keep crunching !
____________
[CSF] Thomas H.V. Dupont
Founder of the team CRUNCHERS SANS FRONTIERES 2.0
www.crunchersansfrontieres

Merry Christmas peeps.
____________

Team Belgium

Merry Christmas to everyone, everywhere.

Merry Christmas to you (and all crunchers) as well to the people who make GPUGRID a noble project.

Hi.

Mery Christmas!!

The file: tcl84.dll is detected by the avast antivirus as suspicious file... and don't allow to work with it.

So... no WU in progress...

Bye!!

Hi.

Mery Christmas!!

The file: tcl84.dll is detected by the avast antivirus as suspicious file... and don't allow to work with it.

So... no WU in progress...

Bye!!

Thanks Richard!

I tought that it was a problem with a new kind of WU, more than to a problem with the new avast version.

I hope they will fix it soon.

We have fed GPUGRID with some new WU to keep you guys busy this christmas. This time we are simulating the binding of a small ligand to a protein called CXCL12, member of the family of chemokines. This protein appears to be altered in cancer and other inflammatory diseases. Happy Chrunchmas!

We are testing the binding of 700 in-silico compounds to prove whether molecular dynamics (MD) is a suitable method for drug design. Several rounds of iterations are necessary to optimize both compounds and method.

In general is an extensive and computationally expensive work that has never been done before. So far, I can only tell you that we may have found some interesting compounds, but we have to validate them experimentally to prove their affinity. If we are right, this could have an enormous impact in the scientific community and in terms of publications.

Music to my ears. That is what fundamental research is for. Sometimes it works, sometimes it doesn't. But if you don't try new things, you never know.

We are testing the binding of 700 in-silico compounds to prove whether molecular dynamics (MD) is a suitable method for drug design. Several rounds of iterations are necessary to optimize both compounds and method.

In general is an extensive and computationally expensive work that has never been done before. So far, I can only tell you that we may have found some interesting compounds, but we have to validate them experimentally to prove their affinity. If we are right, this could have an enormous impact in the scientific community and in terms of publications.

Music to my ears. That is what fundamental research is for. Sometimes it works, sometimes it doesn't. But if you don't try new things, you never know.