Dear all,
I have downloaded and am in the process of preparing 3,370 compounds that inhibit TB (whole organism assays) with an MIC (minimal inhibitory concentration) < 1 microMolar for docking against 2,580 models of TB proteins (65% of the proteome) created by Sir Tom Blundell's group in Cambridge. This will create ~87m docking calculations that will need to be done by the BOINC server to try to find the target protein for each of these compounds.
We should have this ready by mid Jan 2014.
I hope you'll all stay with us until then.
Have a fabulous Christmas holiday.
ciao,
Ant
ps: Initially we'll use the FM@H server until we have a new FTB@H server in place.