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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM13997
=
IX1
in crystal structure
1XBO
BindingDB_50131548.docklog.results_tab.log
BindingDB_50133280.docklog
BindingDB_50106491.docklog.results_tab.log
prot-log.txt
BindingDB_13991.docklog.results_tab.log
BindingDB_50133279.frags.mol2
BindingDB_50133281.docklog.results_tab.log
1XBO.mol2
1XBO-voxthresh-5.pdb
1XBO.opt-protein-trim.mol2
BindingDB_13990.mol2
1XBO-results.mol2
BindingDB_50131548.docklog.mol2
1XBO-voxthresh-9.pdb
BindingDB_13995.docklog.results_tab.log
1XBO-marked-protein.pdb
BindingDB_13990.docklog.results_tab.log
BindingDB_13992.docklog.results_tab.log
BindingDB_13992.frags.mol2
1XBO-voxthresh-8.pdb
1XBO-voxthresh-4.pdb
bdb_1XBO_IX1_sim.txt
1XBO-results_BindingDB_13992.mol2
IX1.sdf
BindingDB_50106491.mol2
1XBO-results_BindingDB_13993.mol2
BindingDB_13993.docklog.mol2
1XBO-protomol.mol2
1XBO_sdf-log.txt
BindingDB_13993.docklog.results_tab.log
BindingDB_50131548.frags.mol2
log-results.mol2
BindingDB_13991.docklog
1XBO_congener-log.txt
1XBO.Targets
BindingDB_13993.docklog
BindingDB_13991.mol2
BindingDB_13994.docklog.mol2
log-results_tab.log
BindingDB_13991.docklog.mol2
1XBO-results_BindingDB_13997.mol2
1XBO_congener.mol2
BindingDB_50131548.docklog
BindingDB_13991.frags.mol2
BindingDB_50133280.docklog.mol2
protein_sampling.mol2
BindingDB_13990.docklog
BindingDB_13990.docklog.mol2
BindingDB_13997.mol2
BindingDB_50212398.docklog
BindingDB_13992.docklog.mol2
BindingDB_13994.docklog
BindingDB_13997.frags.mol2
BindingDB_50133281.mol2
log
1XBO.pdb
1XBO_ligand0.mol2
BindingDB_50212398.docklog.mol2
ligand_sampling.mol2
BindingDB_13990.frags.mol2
BindingDB_13995.frags.mol2
BindingDB_50106491.docklog
1XBO-voxthresh-6.pdb
1XBO-voxthresh-10.pdb
1XBO-voxthresh-2.pdb
BindingDB_50212398.docklog.results_tab.log
1XBO-results_BindingDB_13995.mol2
BindingDB_50133281.frags.mol2
BindingDB_13992.docklog
BindingDB_50133279.docklog.mol2
1XBO-results_BindingDB_13991.mol2
1XBO-results_tab.log
1XBO_sdf.mol2
1XBO-results_BindingDB_13994.mol2
BindingDB_50106491.docklog.mol2
1XBO_water.mol2
scale
frag2.mol2
BindingDB_13993.frags.mol2
BindingDB_50106491.frags.mol2
BindingDB_50133280.docklog.results_tab.log
BindingDB_50133279.docklog
1XBO-voxthresh-0.pdb
prot.mol2
1XBO-voxthresh-7.pdb
1XBO-marked-vox.pdb
BindingDB_50212398.frags.mol2
BindingDB_13994.frags.mol2
1XBO-results_BindingDB_50133280.mol2
BindingDB_50133279.docklog.results_tab.log
1XBO.csv
BindingDB_13995.docklog
BindingDB_50133280.mol2
UnDockable.list
BindingDB_13997.docklog.mol2
BindingDB_50133281.docklog.mol2
BindingDB_50133281.docklog
BindingDB_13994.docklog.results_tab.log
BindingDB_50133279.mol2
BindingDB_13995.mol2
1XBO-results_BindingDB_13990.mol2
BindingDB_13992.mol2
BindingDB_50133280.frags.mol2
BindingDB_13993.mol2
BindingDB_13995.docklog.mol2
1XBO-voxthresh-3.pdb
bdb_1XBO_IX1_3D.sdf
BindingDB_13997.docklog
1XBO-voxthresh-1.pdb
BindingDB_50212398.mol2
frag1.mol2
BindingDB_50131548.mol2
BindingDB_13997.docklog.results_tab.log
BindingDB_13994.mol2