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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM50335530
=
RAR
in crystal structure
3FL8
BindingDB_50335532.mol2
BindingDB_50335532.docklog.results_tab.log
prot-log.txt
BindingDB_50335531.docklog.mol2
3FL8.Targets
BindingDB_50335533.docklog.results_tab.log
3FL8-voxthresh-3.pdb
3FL8-voxthresh-9.pdb
3FL8-results.mol2
3FL8.mol2
BindingDB_50335532.frags.mol2
BindingDB_50335531.frags.mol2
BindingDB_50335530.mol2
3FL8_sdf-log.txt
BindingDB_50335532.docklog.mol2
log-results.mol2
BindingDB_50335532.docklog
bdb_3FL8_RAR_sim.txt
BindingDB_50335531.mol2
3FL8.csv
3FL8_sdf.mol2
3FL8-voxthresh-5.pdb
BindingDB_50335531.docklog.results_tab.log
log-results_tab.log
protein_sampling.mol2
bdb_3FL8_RAR_3D.sdf
3FL8_water.mol2
BindingDB_50335531.docklog
log
3FL8_congener.mol2
3FL8-marked-protein.pdb
3FL8_congener-log.txt
3FL8-protomol.mol2
BindingDB_50335530.docklog
BindingDB_50335533.mol2
scale
frag2.mol2
prot.mol2
3FL8.pdb
3FL8-voxthresh-2.pdb
3FL8.opt-protein-trim.mol2
UnDockable.list
3FL8-voxthresh-7.pdb
RAR.sdf
3FL8-marked-vox.pdb
BindingDB_50335533.docklog
3FL8-voxthresh-0.pdb
BindingDB_50335530.frags.mol2
3FL8-results_tab.log
3FL8_ligand0.mol2
BindingDB_50335533.frags.mol2
3FL8-results_BindingDB_50335530.mol2
3FL8-voxthresh-6.pdb
3FL8-voxthresh-1.pdb
3FL8-results_BindingDB_50335532.mol2
3FL8-voxthresh-4.pdb
BindingDB_50335530.docklog.mol2
frag1.mol2
BindingDB_50335530.docklog.results_tab.log
BindingDB_50335533.docklog.mol2
3FL8-voxthresh-8.pdb