NeoGen
06-07-2010, 06:11 PM
POEM@Home seems to have successfully recreated the T531 for the annual CASP contest. This is good news for all POEM crunchers out there! :)
June 02 , 2010 - CASP 9 T531 news, T540 and T544
The modeling of T531 can be considered a success. We found in total three dominant folds, which were all quite stable in the POEM forcefield, but only one had the disulfide bridges all developed. We will submit all three folds to CASP with the first one being the one with all disulfide brigdes developed - expect pictures on tuesday. Following will be a very short relaxation of T540 as job CASP442 and a longer relaxation of T544 as job 443. Job 445 will be a regular data job simulating the docking of Antithrombin (http://en.wikipedia.org/wiki/Antithrombin) with some protein ligands.
June 02 , 2010 - CASP 9 T531 news, T540 and T544
The modeling of T531 can be considered a success. We found in total three dominant folds, which were all quite stable in the POEM forcefield, but only one had the disulfide bridges all developed. We will submit all three folds to CASP with the first one being the one with all disulfide brigdes developed - expect pictures on tuesday. Following will be a very short relaxation of T540 as job CASP442 and a longer relaxation of T544 as job 443. Job 445 will be a regular data job simulating the docking of Antithrombin (http://en.wikipedia.org/wiki/Antithrombin) with some protein ligands.