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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM49091
=
FCF
in crystal structure
3FCF
3FCF-voxthresh-10.pdb
BindingDB_36457.docklog.results_tab.log
prot-log.txt
BindingDB_36453.frags.mol2
bdb_3FCF_FCF_sim.txt
BindingDB_36457.frags.mol2
3FCF-results.mol2
3FCF-voxthresh-8.pdb
3FCF-voxthresh-6.pdb
3FCF-voxthresh-0.pdb
3FCF-voxthresh-1.pdb
3FCF-voxthresh-4.pdb
BindingDB_36452.frags.mol2
log-results.mol2
3FCF.pdb
FCF.sdf
BindingDB_36454.mol2
BindingDB_36453.docklog.results_tab.log
BindingDB_36453.mol2
3FCF-results_BindingDB_36452.mol2
BindingDB_36457.docklog
BindingDB_36453.docklog.mol2
BindingDB_36454.docklog.mol2
3FCF_ligand0.mol2
3FCF-protomol.mol2
BindingDB_36457.docklog.mol2
3FCF_water.mol2
3FCF-results_tab.log
log-results_tab.log
3FCF_congener-log.txt
BindingDB_36454.docklog
protein_sampling.mol2
3FCF-marked-protein.pdb
3FCF-marked-vox.pdb
BindingDB_36452.mol2
3FCF-voxthresh-9.pdb
log
BindingDB_36452.docklog
3FCF.Targets
3FCF_sdf-log.txt
scale
frag2.mol2
BindingDB_36454.docklog.results_tab.log
3FCF-results_BindingDB_36454.mol2
prot.mol2
BindingDB_36457.mol2
bdb_3FCF_FCF_3D.sdf
3FCF.csv
BindingDB_36454.frags.mol2
3FCF-voxthresh-7.pdb
3FCF-voxthresh-3.pdb
BindingDB_36453.docklog
3FCF-voxthresh-2.pdb
3FCF_sdf.mol2
3FCF.opt-protein-trim.mol2
3FCF-results_BindingDB_36453.mol2
BindingDB_36452.docklog.results_tab.log
3FCF-voxthresh-5.pdb
3FCF_congener.mol2
BindingDB_36452.docklog.mol2
frag1.mol2
3FCF.mol2