drugdata/D3R_GC2015-v1.0.zip
drugdata-D3R_GC2015-3b83c3e
README.md
389 Bytes
challenge_data
HSP90
stage1
HSP90Challenge2015final
2JJC_Stage1.pdb
267.4 kB
2XDX_Stage1.pdb
276.1 kB
4YKR_Stage1.pdb
378.0 kB
4YKY_Stage1.pdb
269.7 kB
ALL_HSP90_compounds_D3R.csv
9.2 kB
ALL_HSP90_compounds_D3R.sdf
400.4 kB
D3RGrandChallenge2015InstructionsAndDescription-revised18OCT2015.pdf
146.9 kB
FEP_compounds_set_1.csv
288 Bytes
FEP_compounds_set_1.sdf
11.2 kB
FEP_compounds_set_2.csv
210 Bytes
FEP_compounds_set_2.sdf
7.3 kB
FEP_compounds_set_3.csv
606 Bytes
FEP_compounds_set_3.sdf
26.3 kB
hsp90.gz
460.7 kB
stage2
4YKQ_hsp90_40.pdb
301.2 kB
4YKT_hsp90_44.pdb
304.6 kB
4YKU_hsp90_179.pdb
309.2 kB
4YKW_hsp90_73_A.pdb
321.8 kB
4YKX_hsp90_164.pdb
301.6 kB
4YKZ_hsp90_175.pdb
308.7 kB
hsp90 stage 2.gz
472.0 kB
MAP4K4
stage1
MAP4K4Challenge2015final
4OBO-monomer_Stage1.pdb
390.9 kB
4U44-monomer_Stage1.pdb
390.5 kB
ALL_MAP4K4_compounds_D3R.csv
1.4 kB
ALL_MAP4K4_compounds_D3R.sdf
65.4 kB
D3RGrandChallenge2015InstructionsAndDescription-revised18OCT2015.pdf
146.9 kB
map4k4.gz
339.0 kB
stage2
map4k4 stage 2.tgz
1.8 MB
original_PDBs_superposed_to_4OBO
MAP01.pdb
233.5 kB
MAP02.pdb
210.8 kB
MAP03.pdb
203.5 kB
MAP04.pdb
400.6 kB
MAP05.pdb
204.7 kB
MAP06.pdb
411.9 kB
MAP07.pdb
203.8 kB
MAP08.pdb
209.7 kB
MAP09.pdb
220.1 kB
MAP11.pdb
213.6 kB
MAP12.pdb
226.1 kB
MAP13.pdb
225.1 kB
MAP14.pdb
228.1 kB
MAP15.pdb
209.2 kB
MAP16.pdb
197.5 kB
MAP17.pdb
222.9 kB
MAP18.pdb
398.5 kB
MAP19.pdb
203.7 kB
MAP20.pdb
219.6 kB
MAP21.pdb
210.5 kB
MAP22.pdb
205.7 kB
MAP23.pdb
197.4 kB
MAP25.pdb
211.4 kB
MAP26.pdb
204.6 kB
MAP27.pdb
205.5 kB
MAP28.pdb
221.6 kB
MAP29.pdb
220.2 kB
MAP30.pdb
209.5 kB
MAP31.pdb
217.5 kB
MAP32.pdb
214.5 kB
README.txt
401 Bytes