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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM91899
=
HK8
in crystal structure
4FSZ
4FSZ_sdf-log.txt
BindingDB_91849.mol2
BindingDB_91853.mol2
4FSZ.Targets
BindingDB_91961.docklog.mol2
prot-log.txt
BindingDB_91848.mol2
BindingDB_91848.docklog
4FSZ-results_BindingDB_91901.mol2
4FSZ_ligand0.mol2
BindingDB_91901.frags.mol2
BindingDB_91860.docklog.results_tab.log
bdb_4FSZ_HK8_sim.txt
4FSZ.pdb
BindingDB_91853.docklog
BindingDB_50218734.mol2
BindingDB_91901.docklog
BindingDB_91937.docklog
4FSZ_ligand4.mol2
BindingDB_91925.frags.mol2
BindingDB_91929.docklog.mol2
4FSZ-results_BindingDB_91863.mol2
4FSZ_ligand1.mol2
BindingDB_50218734.docklog.results_tab.log
BindingDB_91853.docklog.mol2
BindingDB_91901.mol2
BindingDB_91932.frags.mol2
BindingDB_91860.frags.mol2
BindingDB_91863.docklog
BindingDB_91932.docklog.mol2
4FSZ-protomol.mol2
4FSZ-results_BindingDB_91848.mol2
4FSZ-results_tab.log
BindingDB_91961.docklog.results_tab.log
BindingDB_91929.docklog
4FSZ-results_BindingDB_91937.mol2
HK8.sdf
4FSZ-results_BindingDB_91867.mol2
BindingDB_91851.mol2
BindingDB_91899.docklog.results_tab.log
4FSZ_water.mol2
log-results.mol2
4FSZ-results_BindingDB_91851.mol2
BindingDB_91929.frags.mol2
BindingDB_91925.docklog
4FSZ_sdf.mol2
4FSZ-results_BindingDB_91932.mol2
4FSZ-voxthresh-5.pdb
BindingDB_91929.docklog.results_tab.log
BindingDB_91860.mol2
BindingDB_91867.docklog
BindingDB_50218734.frags.mol2
4FSZ-results_BindingDB_91929.mol2
BindingDB_91925.docklog.mol2
BindingDB_91853.docklog.results_tab.log
BindingDB_91937.mol2
BindingDB_91860.docklog
log-results_tab.log
BindingDB_91961.frags.mol2
BindingDB_50218734.docklog
4FSZ-voxthresh-1.pdb
4FSZ-marked-protein.pdb
BindingDB_91849.docklog
BindingDB_91867.mol2
BindingDB_91849.docklog.mol2
BindingDB_91961.mol2
protein_sampling.mol2
BindingDB_91853.frags.mol2
BindingDB_91851.docklog.mol2
broken.mol2
4FSZ-voxthresh-7.pdb
4FSZ-results_BindingDB_91899.mol2
BindingDB_91863.frags.mol2
BindingDB_91863.docklog.results_tab.log
4FSZ_congener.mol2
log
4FSZ_ligand2.mol2
BindingDB_91901.docklog.mol2
4FSZ-voxthresh-9.pdb
BindingDB_91867.docklog.mol2
4FSZ.mol2
BindingDB_91901.docklog.results_tab.log
4FSZ_ligand3.mol2
BindingDB_91899.frags.mol2
BindingDB_91863.docklog.mol2
BindingDB_91899.mol2
BindingDB_91848.docklog.mol2
4FSZ-voxthresh-3.pdb
BindingDB_50218734.docklog.mol2
4FSZ-voxthresh-6.pdb
BindingDB_91867.frags.mol2
4FSZ-results_BindingDB_91853.mol2
BindingDB_91851.frags.mol2
BindingDB_91899.docklog
4FSZ.csv
scale
frag2.mol2
prot.mol2
4FSZ-voxthresh-2.pdb
BindingDB_91851.docklog.results_tab.log
BindingDB_91932.mol2
4FSZ-results_BindingDB_91849.mol2
BindingDB_91851.docklog
BindingDB_91937.docklog.mol2
4FSZ-voxthresh-4.pdb
BindingDB_91860.docklog.mol2
BindingDB_91937.frags.mol2
4FSZ-voxthresh-10.pdb
BindingDB_91848.docklog.results_tab.log
4FSZ-results_BindingDB_91961.mol2
4FSZ_congener-log.txt
BindingDB_91925.docklog.results_tab.log
4FSZ-voxthresh-0.pdb
BindingDB_91932.docklog
BindingDB_91849.frags.mol2
4FSZ-results_BindingDB_91925.mol2
4FSZ-results_BindingDB_91860.mol2
BindingDB_91848.frags.mol2
4FSZ-results.mol2
bdb_4FSZ_HK8_3D.sdf
BindingDB_91849.docklog.results_tab.log
BindingDB_91961.docklog
BindingDB_91925.mol2
4FSZ_ligand5.mol2
BindingDB_91929.mol2
BindingDB_91937.docklog.results_tab.log
4FSZ-voxthresh-8.pdb
4FSZ-marked-vox.pdb
frag1.mol2
4FSZ.opt-protein-trim.mol2
BindingDB_91932.docklog.results_tab.log
BindingDB_91867.docklog.results_tab.log
BindingDB_91863.mol2
BindingDB_91899.docklog.mol2