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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM27081
=
L0E
in crystal structure
2W1E
BindingDB_24712.mol2
BindingDB_27081.docklog.mol2
2W1E-results_BindingDB_27083.mol2
2W1E-voxthresh-1.pdb
prot-log.txt
2W1E.opt-protein-trim.mol2
BindingDB_27085.docklog
BindingDB_27078.frags.mol2
2W1E.mol2
2W1E-results_BindingDB_27079.mol2
BindingDB_50316512.docklog
BindingDB_27078.docklog
BindingDB_50316480.docklog.mol2
2W1E-results_BindingDB_27080.mol2
2W1E_water.mol2
BindingDB_24712.docklog.mol2
BindingDB_27083.frags.mol2
BindingDB_27087.docklog
L0E.sdf
BindingDB_27079.docklog
BindingDB_50316480.docklog
BindingDB_27087.docklog.mol2
BindingDB_27081.docklog
BindingDB_27086.docklog
2W1E.csv
2W1E-results_BindingDB_27082.mol2
2W1E-results_BindingDB_27081.mol2
BindingDB_27086.frags.mol2
2W1E_congener.mol2
BindingDB_27080.docklog
BindingDB_27082.docklog.mol2
BindingDB_27081.mol2
BindingDB_27082.docklog.results_tab.log
BindingDB_27086.docklog.mol2
2W1E-voxthresh-0.pdb
BindingDB_27084.frags.mol2
BindingDB_27085.docklog.mol2
BindingDB_27084.docklog.mol2
BindingDB_27079.mol2
BindingDB_27086.docklog.results_tab.log
log-results.mol2
2W1E-results_BindingDB_24712.mol2
BindingDB_27077.docklog.results_tab.log
BindingDB_27078.mol2
BindingDB_24712.docklog.results_tab.log
BindingDB_27079.frags.mol2
BindingDB_27083.docklog.results_tab.log
BindingDB_27084.docklog.results_tab.log
bdb_2W1E_L0E_sim.txt
BindingDB_24712.docklog
2W1E-results_BindingDB_27086.mol2
2W1E-voxthresh-3.pdb
2W1E-voxthresh-8.pdb
BindingDB_27080.docklog.results_tab.log
BindingDB_27081.docklog.results_tab.log
BindingDB_27085.mol2
BindingDB_27084.mol2
2W1E-results.mol2
2W1E-voxthresh-4.pdb
BindingDB_27083.docklog
BindingDB_27087.mol2
log-results_tab.log
BindingDB_27082.mol2
BindingDB_27079.docklog.results_tab.log
protein_sampling.mol2
2W1E-voxthresh-10.pdb
BindingDB_50316512.docklog.results_tab.log
2W1E-voxthresh-5.pdb
2W1E-protomol.mol2
BindingDB_27077.frags.mol2
BindingDB_27087.frags.mol2
2W1E-results_BindingDB_27078.mol2
BindingDB_24711.frags.mol2
BindingDB_27082.docklog
2W1E-marked-vox.pdb
BindingDB_27077.mol2
BindingDB_50316512.mol2
log
ligand_sampling.mol2
BindingDB_27080.docklog.mol2
BindingDB_27086.mol2
BindingDB_50316512.frags.mol2
BindingDB_50316480.mol2
2W1E-results_BindingDB_27084.mol2
BindingDB_50316480.docklog.results_tab.log
2W1E_ligand0.mol2
BindingDB_27082.frags.mol2
BindingDB_27085.docklog.results_tab.log
scale
2W1E.pdb
frag2.mol2
prot.mol2
BindingDB_24711.docklog.mol2
BindingDB_27079.docklog.mol2
BindingDB_27083.mol2
2W1E-results_tab.log
2W1E-voxthresh-7.pdb
BindingDB_27077.docklog
BindingDB_27078.docklog.results_tab.log
2W1E-results_BindingDB_27085.mol2
BindingDB_27084.docklog
2W1E-voxthresh-9.pdb
BindingDB_27080.frags.mol2
BindingDB_27077.docklog.mol2
2W1E-marked-protein.pdb
BindingDB_27081.frags.mol2
2W1E.Targets
2W1E_congener-log.txt
BindingDB_24711.docklog.results_tab.log
BindingDB_24711.mol2
BindingDB_24711.docklog
BindingDB_50316480.frags.mol2
BindingDB_27085.frags.mol2
BindingDB_27078.docklog.mol2
BindingDB_27083.docklog.mol2
2W1E-results_BindingDB_27077.mol2
BindingDB_27080.mol2
2W1E-voxthresh-6.pdb
2W1E_sdf.mol2
2W1E_sdf-log.txt
2W1E-voxthresh-2.pdb
frag1.mol2
BindingDB_50316512.docklog.mol2
BindingDB_27087.docklog.results_tab.log
BindingDB_24712.frags.mol2
bdb_2W1E_L0E_3D.sdf