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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM33210
=
ZYU
in crystal structure
2WMU
2WMU.mol2
bdb_2WMU_ZYU_sim.txt
prot-log.txt
BindingDB_7533.docklog.results_tab.log
2WMU-results_tab.log
2WMU-voxthresh-3.pdb
2WMU_congener-log.txt
BindingDB_50359801.docklog.results_tab.log
2WMU_congener.mol2
BindingDB_50359802.mol2
BindingDB_50359801.docklog
BindingDB_50359803.docklog
BindingDB_50359802.docklog.mol2
BindingDB_33211.docklog
BindingDB_33210.frags.mol2
BindingDB_50359802.docklog.results_tab.log
BindingDB_7533.docklog.mol2
BindingDB_33211.docklog.results_tab.log
log-results.mol2
2WMU-protomol.mol2
2WMU-voxthresh-6.pdb
BindingDB_50359802.docklog
BindingDB_33210.docklog.results_tab.log
2WMU.Targets
2WMU-results_BindingDB_50359801.mol2
2WMU-voxthresh-7.pdb
2WMU-voxthresh-0.pdb
BindingDB_50359801.frags.mol2
log-results_tab.log
2WMU_ligand0.mol2
2WMU.opt-protein-trim.mol2
BindingDB_7533.frags.mol2
2WMU-voxthresh-5.pdb
BindingDB_7533.mol2
2WMU_water.mol2
2WMU-voxthresh-2.pdb
log
bdb_2WMU_ZYU_3D.sdf
ligand_sampling.mol2
BindingDB_33211.mol2
BindingDB_50359802.frags.mol2
BindingDB_50359801.docklog.mol2
BindingDB_33210.mol2
ZYU.sdf
2WMU_sdf-log.txt
BindingDB_33211.frags.mol2
BindingDB_33210.docklog.mol2
2WMU-marked-protein.pdb
2WMU-results_BindingDB_50359802.mol2
scale
frag2.mol2
2WMU-results_BindingDB_33211.mol2
prot.mol2
BindingDB_50359803.mol2
BindingDB_50359803.docklog.mol2
BindingDB_50359801.mol2
2WMU-voxthresh-10.pdb
BindingDB_50359803.docklog.results_tab.log
2WMU_sdf.mol2
2WMU.csv
BindingDB_7533.docklog
2WMU-voxthresh-8.pdb
2WMU-voxthresh-4.pdb
BindingDB_50359803.frags.mol2
2WMU-voxthresh-9.pdb
2WMU-marked-vox.pdb
2WMU-results_BindingDB_33210.mol2
2WMU-voxthresh-1.pdb
BindingDB_33211.docklog.mol2
2WMU-results.mol2
2WMU.pdb
frag1.mol2
BindingDB_33210.docklog