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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM13814
=
073
in crystal structure
2FJN
BindingDB_50142331.docklog.results_tab.log
2FJN-voxthresh-6.pdb
2FJN.opt-protein-trim.mol2
prot-log.txt
BindingDB_50142328.docklog
2FJN-voxthresh-1.pdb
BindingDB_13814.docklog
BindingDB_13595.docklog.results_tab.log
BindingDB_50142331.docklog.mol2
2FJN-results_BindingDB_13599.mol2
2FJN-voxthresh-0.pdb
BindingDB_50142335.frags.mol2
2FJN-results_BindingDB_13593.mol2
BindingDB_50142331.docklog
BindingDB_50142332.docklog.mol2
bdb_2FJN_073_sim.txt
2FJN-results_BindingDB_50142323.mol2
BindingDB_13814.mol2
BindingDB_50142332.mol2
BindingDB_13596.frags.mol2
BindingDB_50142333.docklog
2FJN-voxthresh-9.pdb
BindingDB_13598.docklog
073.sdf
2FJN-results_BindingDB_50142334.mol2
2FJN-voxthresh-3.pdb
BindingDB_50142334.mol2
BindingDB_50142331.mol2
2FJN.pdb
BindingDB_13595.docklog.mol2
BindingDB_13595.frags.mol2
BindingDB_13599.docklog.mol2
2FJN_congener.mol2
BindingDB_50142328.docklog.mol2
BindingDB_13596.docklog.results_tab.log
BindingDB_13593.docklog.mol2
2FJN.mol2
BindingDB_50142323.docklog
BindingDB_50142334.docklog
BindingDB_50142333.docklog.mol2
log-results.mol2
2FJN-voxthresh-2.pdb
BindingDB_50142335.mol2
2FJN-voxthresh-7.pdb
BindingDB_13815.docklog
BindingDB_13595.docklog
2FJN_sdf-log.txt
bdb_2FJN_073_3D.sdf
2FJN-results_BindingDB_13596.mol2
2FJN-protomol.mol2
BindingDB_50142328.frags.mol2
BindingDB_13815.frags.mol2
BindingDB_13598.docklog.mol2
BindingDB_13598.docklog.results_tab.log
BindingDB_13815.docklog.results_tab.log
BindingDB_13593.frags.mol2
BindingDB_50142335.docklog
BindingDB_13593.mol2
BindingDB_50142328.docklog.results_tab.log
BindingDB_50142332.frags.mol2
log-results_tab.log
BindingDB_13593.docklog.results_tab.log
BindingDB_50142331.frags.mol2
2FJN-voxthresh-4.pdb
protein_sampling.mol2
BindingDB_50142334.frags.mol2
2FJN-results_BindingDB_13595.mol2
BindingDB_13596.docklog.mol2
BindingDB_13814.docklog.results_tab.log
BindingDB_50142323.docklog.mol2
BindingDB_13814.docklog.mol2
BindingDB_13599.mol2
BindingDB_13593.docklog
BindingDB_13598.frags.mol2
log
BindingDB_50142323.docklog.results_tab.log
BindingDB_50142333.mol2
2FJN-results.mol2
BindingDB_50142332.docklog.results_tab.log
2FJN_congener-log.txt
BindingDB_13596.mol2
2FJN-voxthresh-5.pdb
2FJN-voxthresh-8.pdb
2FJN-results_tab.log
BindingDB_13599.docklog
BindingDB_50142332.docklog
BindingDB_50142323.frags.mol2
BindingDB_50142328.mol2
scale
2FJN-marked-vox.pdb
frag2.mol2
prot.mol2
BindingDB_13599.frags.mol2
BindingDB_50142335.docklog.mol2
BindingDB_50142334.docklog.mol2
BindingDB_13595.mol2
2FJN-results_BindingDB_50142328.mol2
UnDockable.list
BindingDB_13815.mol2
BindingDB_50142335.docklog.results_tab.log
2FJN-marked-protein.pdb
BindingDB_13596.docklog
2FJN.csv
BindingDB_13815.docklog.mol2
2FJN.Targets
BindingDB_13814.frags.mol2
BindingDB_50142333.docklog.results_tab.log
2FJN-results_BindingDB_13598.mol2
2FJN_ligand0.mol2
2FJN_water.mol2
BindingDB_50142323.mol2
2FJN-results_BindingDB_13814.mol2
BindingDB_50142334.docklog.results_tab.log
2FJN_sdf.mol2
BindingDB_50142333.frags.mol2
frag1.mol2
BindingDB_13599.docklog.results_tab.log
BindingDB_13598.mol2