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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM7108
=
292
in crystal structure
1VYW
BindingDB_7153.docklog
BindingDB_7095.docklog
1VYW-voxthresh-0.pdb
1VYW-voxthresh-5.pdb
BindingDB_7098.mol2
BindingDB_7160.docklog.results_tab.log
prot-log.txt
1VYW.csv
1VYW-results_BindingDB_7154.mol2
BindingDB_7153.docklog.results_tab.log
BindingDB_7094.mol2
BindingDB_50247313.docklog
BindingDB_7162.docklog.results_tab.log
BindingDB_7153.frags.mol2
BindingDB_7160.mol2
BindingDB_7153.mol2
BindingDB_7154.docklog.results_tab.log
BindingDB_7099.docklog.results_tab.log
1VYW-results_BindingDB_7155.mol2
BindingDB_7097.docklog.mol2
BindingDB_7153.docklog.mol2
BindingDB_7162.docklog.mol2
BindingDB_7098.docklog
1VYW-voxthresh-7.pdb
bdb_1VYW_292_3D.sdf
292.sdf
1VYW_sdf-log.txt
1VYW-results_BindingDB_7153.mol2
BindingDB_7095.docklog.mol2
1VYW-results_BindingDB_7097.mol2
1VYW_congener.mol2
BindingDB_7154.frags.mol2
BindingDB_7094.docklog.mol2
BindingDB_7094.frags.mol2
1VYW_ligand1.mol2
BindingDB_7162.mol2
1VYW-results_BindingDB_7159.mol2
1VYW-marked-protein.pdb
BindingDB_7158.docklog
BindingDB_7096.docklog.mol2
BindingDB_7098.frags.mol2
log-results.mol2
BindingDB_7155.docklog.mol2
BindingDB_7158.docklog.results_tab.log
BindingDB_7096.docklog.results_tab.log
BindingDB_50247313.frags.mol2
BindingDB_7155.frags.mol2
1VYW-voxthresh-1.pdb
BindingDB_7159.docklog.results_tab.log
BindingDB_7108.docklog
1VYW-results_BindingDB_7108.mol2
log-results_tab.log
BindingDB_7099.docklog.mol2
BindingDB_7165.frags.mol2
BindingDB_7159.frags.mol2
BindingDB_7159.mol2
1VYW_congener-log.txt
BindingDB_7099.frags.mol2
BindingDB_7158.frags.mol2
1VYW-results_BindingDB_7158.mol2
1VYW-results_BindingDB_7094.mol2
1VYW-results_BindingDB_7096.mol2
1VYW-protomol.mol2
1VYW-results_BindingDB_7098.mol2
1VYW-voxthresh-9.pdb
1VYW-results_tab.log
BindingDB_7095.docklog.results_tab.log
log
BindingDB_7097.mol2
1VYW-results_BindingDB_7099.mol2
BindingDB_50247313.mol2
BindingDB_7096.frags.mol2
BindingDB_7158.mol2
BindingDB_7155.docklog
BindingDB_7108.mol2
BindingDB_7094.docklog
BindingDB_7095.frags.mol2
BindingDB_50247313.docklog.mol2
BindingDB_7165.mol2
BindingDB_7165.docklog.mol2
1VYW-results_BindingDB_7160.mol2
1VYW.pdb
1VYW.Targets
1VYW-voxthresh-3.pdb
scale
1VYW.opt-protein-trim.mol2
BindingDB_7099.mol2
frag2.mol2
1VYW-voxthresh-6.pdb
BindingDB_7094.docklog.results_tab.log
BindingDB_7095.mol2
BindingDB_7165.docklog
prot.mol2
1VYW-voxthresh-10.pdb
BindingDB_7097.docklog
1VYW_ligand0.mol2
BindingDB_7160.frags.mol2
1VYW-voxthresh-4.pdb
BindingDB_7097.docklog.results_tab.log
BindingDB_7155.mol2
BindingDB_7162.frags.mol2
BindingDB_7154.mol2
1VYW.mol2
bdb_1VYW_292_sim.txt
BindingDB_7159.docklog.mol2
BindingDB_7160.docklog.mol2
BindingDB_7108.frags.mol2
BindingDB_50247313.docklog.results_tab.log
BindingDB_7098.docklog.mol2
BindingDB_7154.docklog
BindingDB_7096.docklog
BindingDB_7160.docklog
1VYW-results_BindingDB_7162.mol2
1VYW-voxthresh-8.pdb
1VYW-results.mol2
1VYW-marked-vox.pdb
BindingDB_7155.docklog.results_tab.log
BindingDB_7096.mol2
BindingDB_7158.docklog.mol2
BindingDB_7162.docklog
BindingDB_7159.docklog
1VYW_sdf.mol2
BindingDB_7108.docklog.results_tab.log
1VYW-results_BindingDB_7095.mol2
BindingDB_7097.frags.mol2
1VYW-voxthresh-2.pdb
BindingDB_7154.docklog.mol2
BindingDB_7165.docklog.results_tab.log
frag1.mol2
BindingDB_7098.docklog.results_tab.log
BindingDB_7108.docklog.mol2
1VYW_water.mol2
BindingDB_7099.docklog