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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM32573
=
3CZ
in crystal structure
3CZR
BindingDB_32556.frags.mol2
BindingDB_32573.docklog.results_tab.log
3CZR-protomol.mol2
3CZR-results.mol2
BindingDB_32557.docklog.mol2
BindingDB_32559.docklog.mol2
BindingDB_32558.docklog.results_tab.log
prot-log.txt
BindingDB_32572.docklog
BindingDB_32561.docklog
BindingDB_32560.mol2
BindingDB_32563.frags.mol2
3CZR-results_BindingDB_32561.mol2
BindingDB_32564.docklog
BindingDB_32565.docklog
BindingDB_32561.docklog.mol2
BindingDB_32562.mol2
3CZR-voxthresh-4.pdb
BindingDB_32556.docklog.results_tab.log
3CZR-voxthresh-0.pdb
3CZR-marked-protein.pdb
3CZR-voxthresh-7.pdb
3CZR.pdb
BindingDB_32571.docklog.results_tab.log
BindingDB_32574.docklog
3CZR.csv
3CZR-results_BindingDB_32565.mol2
BindingDB_32567.docklog
3CZR_ligand1.mol2
3CZR-results_tab.log
BindingDB_32572.frags.mol2
3CZR_sdf.mol2
BindingDB_32573.frags.mol2
BindingDB_32558.frags.mol2
3CZR-results_BindingDB_32567.mol2
BindingDB_32556.mol2
3CZR-results_BindingDB_32574.mol2
BindingDB_32562.docklog.results_tab.log
3CZR-results_BindingDB_32559.mol2
bdb_3CZR_3CZ_sim.txt
log-results.mol2
BindingDB_32572.docklog.results_tab.log
BindingDB_32560.docklog.mol2
BindingDB_32574.frags.mol2
3CZR-results_BindingDB_32564.mol2
BindingDB_32559.frags.mol2
BindingDB_32556.docklog
BindingDB_32573.docklog.mol2
3CZR-results_BindingDB_32560.mol2
3CZR.Targets
BindingDB_32565.frags.mol2
3CZR.opt-protein-trim.mol2
BindingDB_32556.docklog.mol2
BindingDB_32562.docklog.mol2
BindingDB_32563.docklog.results_tab.log
BindingDB_32572.mol2
BindingDB_32571.mol2
BindingDB_32560.docklog
3CZR-results_BindingDB_32573.mol2
BindingDB_32563.docklog
BindingDB_32558.docklog
log-results_tab.log
BindingDB_32564.mol2
BindingDB_32564.docklog.results_tab.log
BindingDB_32559.mol2
3CZR_congener-log.txt
BindingDB_32572.docklog.mol2
3CZR-results_BindingDB_32557.mol2
BindingDB_32564.frags.mol2
BindingDB_32560.docklog.results_tab.log
BindingDB_32574.mol2
protein_sampling.mol2
BindingDB_32567.docklog.results_tab.log
BindingDB_32551.docklog.results_tab.log
BindingDB_32551.docklog
3CZR-results_BindingDB_32551.mol2
BindingDB_32573.mol2
3CZR-voxthresh-2.pdb
BindingDB_32565.docklog.mol2
BindingDB_32561.docklog.results_tab.log
log
BindingDB_32571.docklog
BindingDB_32561.mol2
3CZR-voxthresh-1.pdb
BindingDB_32563.mol2
3CZR.mol2
BindingDB_32565.docklog.results_tab.log
3CZR_sdf-log.txt
BindingDB_32565.mol2
BindingDB_32557.docklog.results_tab.log
3CZR-results_BindingDB_32562.mol2
3CZR-results_BindingDB_32563.mol2
bdb_3CZR_3CZ_3D.sdf
BindingDB_32563.docklog.mol2
3CZR_ligand3.mol2
3CZR-results_BindingDB_32572.mol2
BindingDB_32561.frags.mol2
BindingDB_32557.docklog
3CZR-voxthresh-8.pdb
3CZR-voxthresh-5.pdb
3CZR_congener.mol2
scale
frag2.mol2
BindingDB_32573.docklog
prot.mol2
BindingDB_32557.frags.mol2
BindingDB_32557.mol2
BindingDB_32574.docklog.mol2
BindingDB_32551.frags.mol2
3CZR-marked-vox.pdb
3CZR-voxthresh-9.pdb
BindingDB_32567.frags.mol2
BindingDB_32567.docklog.mol2
3CZR_ligand0.mol2
BindingDB_32571.frags.mol2
BindingDB_32574.docklog.results_tab.log
BindingDB_32560.frags.mol2
3CZR-voxthresh-3.pdb
BindingDB_32558.mol2
3CZR_water.mol2
3CZR-results_BindingDB_32571.mol2
BindingDB_32562.frags.mol2
BindingDB_32559.docklog.results_tab.log
BindingDB_32558.docklog.mol2
3CZR-results_BindingDB_32558.mol2
BindingDB_32567.mol2
3CZ.sdf
3CZR_ligand2.mol2
BindingDB_32564.docklog.mol2
BindingDB_32571.docklog.mol2
3CZR-results_BindingDB_32556.mol2
3CZR-voxthresh-6.pdb
BindingDB_32562.docklog
BindingDB_32551.mol2
frag1.mol2
BindingDB_32559.docklog
BindingDB_32551.docklog.mol2