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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM11460
=
I17
in crystal structure
1G5S
1G5S-voxthresh-8.pdb
1G5S-results_tab.log
prot-log.txt
BindingDB_7533.docklog.results_tab.log
BindingDB_10634.mol2
BindingDB_10640.docklog
BindingDB_50261545.docklog.mol2
BindingDB_10909.docklog.results_tab.log
BindingDB_11461.docklog
BindingDB_10638.mol2
BindingDB_50261545.docklog.results_tab.log
BindingDB_5718.mol2
BindingDB_11458.docklog.results_tab.log
BindingDB_10634.frags.mol2
1G5S-voxthresh-0.pdb
BindingDB_10633.docklog
BindingDB_31100.docklog.results_tab.log
BindingDB_31100.docklog.mol2
1G5S-voxthresh-4.pdb
1G5S_water.mol2
1G5S-voxthresh-6.pdb
BindingDB_10636.frags.mol2
1G5S-voxthresh-9.pdb
I17.sdf
1G5S-voxthresh-7.pdb
BindingDB_31100.frags.mol2
BindingDB_11461.docklog.results_tab.log
1G5S-voxthresh-5.pdb
BindingDB_11459.mol2
BindingDB_10638.docklog
BindingDB_7533.docklog.mol2
BindingDB_10634.docklog.mol2
BindingDB_10640.frags.mol2
log-results.mol2
BindingDB_10636.docklog.mol2
1G5S-voxthresh-10.pdb
BindingDB_10636.mol2
BindingDB_5718.docklog
bdb_1G5S_I17_sim.txt
BindingDB_11460.mol2
BindingDB_10634.docklog.results_tab.log
BindingDB_11460.docklog.mol2
1G5S.csv
1G5S_congener-log.txt
bdb_1G5S_I17_3D.sdf
BindingDB_11460.frags.mol2
BindingDB_11460.docklog.results_tab.log
BindingDB_11459.docklog.mol2
BindingDB_10634.docklog
BindingDB_10638.docklog.mol2
log-results_tab.log
BindingDB_11459.docklog
BindingDB_11461.mol2
BindingDB_10909.mol2
BindingDB_10633.docklog.mol2
BindingDB_50120508.docklog
BindingDB_10640.docklog.results_tab.log
1G5S_sdf.mol2
BindingDB_7533.frags.mol2
BindingDB_7533.mol2
1G5S-marked-protein.pdb
log
BindingDB_5718.docklog.mol2
1G5S-results_BindingDB_5718.mol2
BindingDB_50261545.docklog
BindingDB_10909.frags.mol2
BindingDB_50261545.mol2
BindingDB_10636.docklog.results_tab.log
BindingDB_50120508.frags.mol2
1G5S-results.mol2
BindingDB_10636.docklog
BindingDB_11458.frags.mol2
1G5S-results_BindingDB_11460.mol2
BindingDB_11460.docklog
BindingDB_10909.docklog
BindingDB_10633.mol2
BindingDB_11458.mol2
scale
BindingDB_10633.docklog.results_tab.log
1G5S.Targets
frag2.mol2
prot.mol2
BindingDB_10638.docklog.results_tab.log
BindingDB_11458.docklog
BindingDB_50120508.docklog.mol2
1G5S_ligand0.mol2
1G5S-voxthresh-2.pdb
BindingDB_11461.frags.mol2
BindingDB_10640.docklog.mol2
BindingDB_7533.docklog
1G5S-voxthresh-1.pdb
BindingDB_11461.docklog.mol2
1G5S_sdf-log.txt
BindingDB_10638.frags.mol2
BindingDB_11458.docklog.mol2
1G5S.opt-protein-trim.mol2
BindingDB_11459.frags.mol2
1G5S.mol2
BindingDB_10640.mol2
1G5S-voxthresh-3.pdb
BindingDB_10909.docklog.mol2
BindingDB_50120508.mol2
1G5S.pdb
BindingDB_31100.docklog
BindingDB_50261545.frags.mol2
BindingDB_5718.frags.mol2
1G5S-protomol.mol2
1G5S-marked-vox.pdb
1G5S_congener.mol2
BindingDB_5718.docklog.results_tab.log
frag1.mol2
BindingDB_11459.docklog.results_tab.log
BindingDB_31100.mol2
BindingDB_50120508.docklog.results_tab.log
BindingDB_10633.frags.mol2