This is a collection of files that contain Auto-DUD-E, a version of DUD-E where all targets were prepared automatically from the PDB, for testing docking methods using DOCK3.7.

Paper to read and cite if you use these files: Coleman, Carchia, Sterling, Irwin and Shoichet. PLoS One. 2013.

Previous versions: DUD-E, DUD.

Software link, contains DOCK3.7 and all automatic preparation tools: DOCK3.7

Download giant (5 Gigabyte) tarball of all files: Auto-DUD-E

Download small tarball of just processed PDB files containing receptor & ligand: Auto-DUD-E PDB only

Click on a target below to browse and download docking files for each receptor: aa2ar abl1 ace aces ada ada17 adrb1 adrb2 akt1 akt2 aldr ampc andr aofb bace1 braf cah2 casp3 cdk2 comt cp2c9 cp3a4 csf1r cxcr4 def dhi1 dpp4 drd3 dyr egfr esr1 esr2 fa10 fa7 fabp4 fak1 fgfr1 fkb1a fnta fpps gcr glcm gria2 grik1 hdac2 hdac8 hivint hivpr hivrt hmdh hs90a hxk4 igf1r inha ital jak2 kif11 kit kith kpcb lck lkha4 mapk2 mcr met mk01 mk10 mk14 mmp13 mp2k1 nos1 nram pa2ga parp1 pde5a pgh1 pgh2 plk1 pnph ppara ppard pparg prgr ptn1 pur2 pygm pyrd reni rock1 rxra sahh src tgfr1 thb thrb try1 tryb1 tysy urok vgfr2 wee1 xiap

Directory to browse and download ligand database files: Ligand Directory

Auto-DUD-E image based on Transmission by Silverxxx, used and relicensed under the CCASA3.0 license

Mirrored on github

Contact: Ryan G. Coleman