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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM18795
=
D16
in crystal structure
1HVY
BindingDB_50415833.docklog
BindingDB_50040860.mol2
BindingDB_50415834.frags.mol2
prot-log.txt
1HVY_congener-log.txt
BindingDB_50415832.mol2
BindingDB_50415837.docklog
1HVY.Targets
BindingDB_50415835.mol2
BindingDB_50158426.docklog.mol2
BindingDB_50415834.mol2
1HVY-protomol.mol2
1HVY-results_BindingDB_50415833.mol2
BindingDB_50415846.docklog.results_tab.log
BindingDB_50158426.frags.mol2
BindingDB_50415849.mol2
BindingDB_50415849.frags.mol2
1HVY-voxthresh-3.pdb
1HVY_ligand6.mol2
BindingDB_50415836.docklog.results_tab.log
1HVY-results_BindingDB_50415832.mol2
BindingDB_50012524.docklog
BindingDB_50415839.frags.mol2
BindingDB_50415834.docklog
BindingDB_50012524.docklog.mol2
bdb_1HVY_D16_sim.txt
1HVY_sdf.mol2
BindingDB_50415839.mol2
BindingDB_50415842.docklog.results_tab.log
BindingDB_50415842.docklog.mol2
1HVY-results_BindingDB_50415839.mol2
BindingDB_50415832.docklog.results_tab.log
BindingDB_50158426.docklog.results_tab.log
1HVY-voxthresh-8.pdb
1HVY_ligand4.mol2
BindingDB_50415846.mol2
1HVY-voxthresh-7.pdb
1HVY_ligand1.mol2
1HVY_ligand0.mol2
BindingDB_50158426.mol2
BindingDB_50415846.docklog.mol2
1HVY-marked-vox.pdb
log-results.mol2
1HVY_water.mol2
1HVY.pdb
BindingDB_50415846.docklog
BindingDB_50415837.docklog.results_tab.log
BindingDB_50415838.docklog
1HVY-results_BindingDB_50158426.mol2
BindingDB_50040860.docklog.mol2
1HVY-results_BindingDB_50415834.mol2
BindingDB_50415838.docklog.results_tab.log
BindingDB_50158426.docklog
BindingDB_50415842.frags.mol2
log-results_tab.log
BindingDB_50040860.docklog.results_tab.log
BindingDB_50415842.docklog
BindingDB_50415832.docklog
1HVY_ligand2.mol2
BindingDB_50040860.docklog
protein_sampling.mol2
BindingDB_50415837.mol2
1HVY-results_tab.log
BindingDB_50415836.docklog
1HVY-results.mol2
BindingDB_50415835.docklog
1HVY_ligand7.mol2
BindingDB_50415842.mol2
BindingDB_50415833.docklog.mol2
1HVY-voxthresh-4.pdb
log
ligand_sampling.mol2
BindingDB_50415837.frags.mol2
BindingDB_50012524.docklog.results_tab.log
BindingDB_50012524.frags.mol2
BindingDB_50415832.frags.mol2
BindingDB_50415835.docklog.results_tab.log
BindingDB_50415849.docklog.mol2
1HVY-voxthresh-5.pdb
1HVY-results_BindingDB_50415835.mol2
BindingDB_50415846.frags.mol2
BindingDB_50415836.mol2
BindingDB_50415834.docklog.results_tab.log
1HVY-results_BindingDB_50415836.mol2
1HVY_congener.mol2
1HVY-results_BindingDB_50012524.mol2
scale
BindingDB_50415833.frags.mol2
BindingDB_50415834.docklog.mol2
1HVY_ligand3.mol2
frag2.mol2
1HVY.csv
prot.mol2
1HVY-voxthresh-2.pdb
D16.sdf
1HVY_ligand5.mol2
BindingDB_50415838.frags.mol2
bdb_1HVY_D16_3D.sdf
BindingDB_50012524.mol2
BindingDB_50415836.frags.mol2
1HVY-results_BindingDB_50040860.mol2
1HVY-results_BindingDB_50415838.mol2
1HVY.opt-protein-trim.mol2
BindingDB_50415836.docklog.mol2
1HVY.mol2
1HVY-voxthresh-1.pdb
1HVY-results_BindingDB_50415842.mol2
BindingDB_50415835.frags.mol2
BindingDB_50415835.docklog.mol2
BindingDB_50415838.mol2
BindingDB_50415837.docklog.mol2
BindingDB_50415838.docklog.mol2
1HVY-voxthresh-9.pdb
1HVY_sdf-log.txt
1HVY-marked-protein.pdb
BindingDB_50415839.docklog.results_tab.log
BindingDB_50415832.docklog.mol2
BindingDB_50415833.docklog.results_tab.log
BindingDB_50415833.mol2
1HVY-results_BindingDB_50415837.mol2
BindingDB_50415839.docklog.mol2
BindingDB_50040860.frags.mol2
1HVY-voxthresh-0.pdb
BindingDB_50415839.docklog
frag1.mol2
BindingDB_50415849.docklog
BindingDB_50415849.docklog.results_tab.log
1HVY-voxthresh-6.pdb