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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM50207861
=
MUH
in crystal structure
2OSC
2OSC-voxthresh-4.pdb
bdb_2OSC_MUH_sim.txt
BindingDB_35327.frags.mol2
2OSC-voxthresh-8.pdb
BindingDB_14975.docklog.results_tab.log
BindingDB_14974.docklog.results_tab.log
BindingDB_35320.mol2
prot-log.txt
BindingDB_35318.frags.mol2
BindingDB_14972.docklog.mol2
BindingDB_14973.mol2
2OSC-results_BindingDB_35318.mol2
2OSC-voxthresh-0.pdb
2OSC-results.mol2
BindingDB_14975.docklog.mol2
BindingDB_35322.mol2
BindingDB_50237710.docklog.results_tab.log
2OSC-voxthresh-6.pdb
BindingDB_35320.docklog
BindingDB_35318.mol2
2OSC-voxthresh-9.pdb
BindingDB_50207861.mol2
2OSC-voxthresh-3.pdb
BindingDB_14976.docklog.results_tab.log
2OSC-voxthresh-7.pdb
BindingDB_13530.mol2
BindingDB_13530.docklog.results_tab.log
BindingDB_14975.frags.mol2
BindingDB_35321.docklog.mol2
BindingDB_35321.frags.mol2
BindingDB_35319.mol2
2OSC-marked-protein.pdb
2OSC_ligand0.mol2
BindingDB_14971.mol2
BindingDB_35322.docklog
BindingDB_14974.docklog.mol2
BindingDB_35319.docklog.mol2
log-results.mol2
BindingDB_50237710.frags.mol2
BindingDB_13530.docklog.mol2
BindingDB_15020.frags.mol2
BindingDB_14973.docklog
BindingDB_15020.docklog.mol2
BindingDB_14975.mol2
BindingDB_14976.frags.mol2
BindingDB_14976.mol2
BindingDB_50207861.docklog.mol2
BindingDB_15020.docklog.results_tab.log
BindingDB_14974.mol2
BindingDB_35320.docklog.results_tab.log
2OSC.mol2
2OSC-results_BindingDB_14976.mol2
BindingDB_14971.docklog.results_tab.log
2OSC-voxthresh-10.pdb
2OSC-results_BindingDB_14973.mol2
log-results_tab.log
BindingDB_14972.frags.mol2
BindingDB_13530.docklog
BindingDB_14976.docklog
2OSC_congener-log.txt
BindingDB_50207861.docklog.results_tab.log
BindingDB_35320.docklog.mol2
BindingDB_50237710.mol2
BindingDB_35327.docklog
protein_sampling.mol2
2OSC-results_BindingDB_15020.mol2
2OSC.pdb
BindingDB_13530.frags.mol2
BindingDB_14974.docklog
2OSC-voxthresh-2.pdb
2OSC-results_BindingDB_35322.mol2
2OSC.csv
BindingDB_14972.docklog.results_tab.log
log
BindingDB_35321.docklog.results_tab.log
2OSC-voxthresh-1.pdb
BindingDB_14972.docklog
BindingDB_35322.docklog.results_tab.log
BindingDB_14975.docklog
BindingDB_35322.frags.mol2
bdb_2OSC_MUH_3D.sdf
2OSC_sdf-log.txt
BindingDB_14972.mol2
2OSC-results_tab.log
BindingDB_14971.docklog.mol2
2OSC.Targets
2OSC-results_BindingDB_14974.mol2
BindingDB_35319.frags.mol2
BindingDB_14971.docklog
BindingDB_35318.docklog
BindingDB_50207861.frags.mol2
scale
frag2.mol2
BindingDB_14973.docklog.results_tab.log
prot.mol2
BindingDB_35321.mol2
2OSC-results_BindingDB_35321.mol2
2OSC_sdf.mol2
2OSC-results_BindingDB_50207861.mol2
BindingDB_35327.docklog.results_tab.log
2OSC-voxthresh-5.pdb
BindingDB_50207861.docklog
2OSC.opt-protein-trim.mol2
2OSC-results_BindingDB_14971.mol2
UnDockable.list
BindingDB_35327.docklog.mol2
BindingDB_14973.docklog.mol2
BindingDB_35321.docklog
BindingDB_50237710.docklog
2OSC_congener.mol2
BindingDB_35319.docklog
BindingDB_35318.docklog.results_tab.log
BindingDB_14971.frags.mol2
2OSC-results_BindingDB_14975.mol2
2OSC-protomol.mol2
BindingDB_14973.frags.mol2
BindingDB_35319.docklog.results_tab.log
2OSC_water.mol2
BindingDB_15020.docklog
MUH.sdf
BindingDB_35327.mol2
BindingDB_35318.docklog.mol2
BindingDB_35320.frags.mol2
frag1.mol2
BindingDB_50237710.docklog.mol2
2OSC-results_BindingDB_13530.mol2
BindingDB_14976.docklog.mol2
BindingDB_35322.docklog.mol2
BindingDB_15020.mol2
BindingDB_14974.frags.mol2
2OSC-marked-vox.pdb