Search found 94 matches

by rafwiewiora
Mon May 02, 2016 8:27 pm
Forum: Announcements - Folding Consortium
Topic: p11707 to ADVANCED
Replies: 0
Views: 1413

p11707 to ADVANCED

Stats: # atoms: 35200 credit: 15965 k-factor: 0.75 timeout: 7d deadline: 10d 11707: Protein lysine methyltransferase SETD8, we have used Ensembler (http://ensembler.readthedocs.org/en/latest/) to generate models from all chains in all available crystal structures - 23 in total. This is the same prot...
by rafwiewiora
Wed Apr 13, 2016 7:32 pm
Forum: Announcements - Folding Consortium
Topic: 11706 released to ADVANCED
Replies: 0
Views: 1494

11706 released to ADVANCED

Here we are simulating the NSD2 protein methyltransferase, a continuation of the Chodera Lab effort to map the conformational landscapes of all protein lysine methyltransferases - important epigenetic enzymes. This will provide powerful data for validations of existing chemical probes and inhibitors...
by rafwiewiora
Fri Jan 15, 2016 1:10 am
Forum: Announcements - Folding Consortium
Topic: Projects 11703-5 [core21, GPU, LIN/WIN] moving to Advanced
Replies: 0
Views: 1645

Projects 11703-5 [core21, GPU, LIN/WIN] moving to Advanced

Projects 11703, 11704, 11705 moving into ADV! These are simulations of epigenetic enzymes - protein lysine methyltransferases NSD1 (11703), NSD3 (11704) and SETD2 (11705) using a new multisite Zn2+ ion model. Stats: k-factor is 0.75 for all of them Project 11703 base credit: 24051 timeout: 7d deadli...
by rafwiewiora
Fri Jan 15, 2016 12:55 am
Forum: New Donors start here
Topic: Is my GPU working correctly
Replies: 51
Views: 9980

Re: Is my GPU working correctly

Sorry guys, we were missing a MaxPacket>5 constraint on this work server / for 11703,4,5. Fixed now. Thanks for spotting the problem!