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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM15819
=
901
in crystal structure
1NZ7
BindingDB_15811.docklog
BindingDB_15816.frags.mol2
1NZ7-voxthresh-8.pdb
BindingDB_15812.frags.mol2
BindingDB_15821.docklog
BindingDB_15814.docklog
prot-log.txt
1NZ7.Targets
BindingDB_15822.docklog
1NZ7-voxthresh-1.pdb
1NZ7-results_BindingDB_15818.mol2
BindingDB_15821.docklog.mol2
BindingDB_15816.docklog.results_tab.log
1NZ7-voxthresh-9.pdb
BindingDB_13971.docklog
1NZ7-results_BindingDB_15815.mol2
1NZ7-results_BindingDB_15812.mol2
BindingDB_15815.mol2
BindingDB_15810.frags.mol2
BindingDB_15822.docklog.mol2
1NZ7-voxthresh-6.pdb
BindingDB_15809.docklog
BindingDB_15810.docklog.mol2
BindingDB_15815.docklog.results_tab.log
1NZ7-protomol.mol2
BindingDB_15811.docklog.mol2
1NZ7-results_BindingDB_15821.mol2
BindingDB_15812.docklog
BindingDB_15814.frags.mol2
BindingDB_15812.mol2
BindingDB_15820.frags.mol2
BindingDB_15822.mol2
BindingDB_15810.docklog.results_tab.log
BindingDB_15817.docklog.mol2
BindingDB_15816.docklog.mol2
1NZ7-results_BindingDB_15811.mol2
BindingDB_15809.frags.mol2
log-results.mol2
1NZ7-voxthresh-7.pdb
BindingDB_15820.docklog.mol2
BindingDB_15819.docklog.mol2
bdb_1NZ7_901_sim.txt
BindingDB_15810.mol2
BindingDB_15821.frags.mol2
BindingDB_15821.docklog.results_tab.log
BindingDB_15809.docklog.mol2
BindingDB_15814.docklog.results_tab.log
BindingDB_13971.docklog.mol2
BindingDB_15813.docklog
1NZ7-results_BindingDB_15817.mol2
1NZ7-marked-vox.pdb
1NZ7-results_BindingDB_15809.mol2
1NZ7-results.mol2
BindingDB_15814.docklog.mol2
1NZ7-results_BindingDB_15816.mol2
1NZ7_water.mol2
log-results_tab.log
BindingDB_15821.mol2
BindingDB_15815.docklog
BindingDB_15812.docklog.mol2
BindingDB_15809.mol2
BindingDB_15820.docklog.results_tab.log
BindingDB_15813.frags.mol2
BindingDB_15819.docklog.results_tab.log
1NZ7_congener.mol2
protein_sampling.mol2
901.sdf
1NZ7-voxthresh-5.pdb
BindingDB_15817.docklog
BindingDB_13971.frags.mol2
BindingDB_15811.docklog.results_tab.log
BindingDB_15822.docklog.results_tab.log
BindingDB_15817.docklog.results_tab.log
BindingDB_15817.frags.mol2
BindingDB_15810.docklog
log
BindingDB_15816.mol2
1NZ7-results_tab.log
1NZ7-marked-protein.pdb
BindingDB_15815.docklog.mol2
BindingDB_15811.mol2
BindingDB_15820.mol2
1NZ7_congener-log.txt
BindingDB_15816.docklog
BindingDB_15811.frags.mol2
1NZ7-results_BindingDB_15813.mol2
BindingDB_15812.docklog.results_tab.log
BindingDB_15818.docklog
1NZ7-voxthresh-10.pdb
BindingDB_15809.docklog.results_tab.log
scale
frag2.mol2
1NZ7.opt-protein-trim.mol2
BindingDB_15819.docklog
prot.mol2
1NZ7-results_BindingDB_15819.mol2
BindingDB_15818.docklog.results_tab.log
1NZ7-results_BindingDB_13971.mol2
1NZ7-results_BindingDB_15810.mol2
BindingDB_15817.mol2
bdb_1NZ7_901_3D.sdf
1NZ7.csv
1NZ7_sdf.mol2
BindingDB_15814.mol2
1NZ7-voxthresh-2.pdb
BindingDB_15820.docklog
BindingDB_15818.mol2
1NZ7-results_BindingDB_15814.mol2
BindingDB_15818.frags.mol2
1NZ7_sdf-log.txt
1NZ7-voxthresh-4.pdb
BindingDB_15818.docklog.mol2
BindingDB_15813.mol2
1NZ7-voxthresh-0.pdb
1NZ7-voxthresh-3.pdb
BindingDB_15813.docklog.mol2
1NZ7-results_BindingDB_15820.mol2
BindingDB_15815.frags.mol2
BindingDB_15819.mol2
BindingDB_15819.frags.mol2
1NZ7-results_BindingDB_15822.mol2
BindingDB_15813.docklog.results_tab.log
1NZ7.pdb
BindingDB_13971.mol2
BindingDB_15822.frags.mol2
1NZ7_ligand0.mol2
BindingDB_13971.docklog.results_tab.log
frag1.mol2
1NZ7.mol2