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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM26992
=
SO4
in crystal structure
1RZD
1RZD.pdb
1RZD-results.mol2
1RZD-voxthresh-6.pdb
1RZD-results_BindingDB_26994.mol2
BindingDB_26994.docklog.results_tab.log
1RZD-voxthresh-4.pdb
BindingDB_26992.docklog
prot-log.txt
1RZD-voxthresh-10.pdb
BindingDB_26991.docklog.mol2
BindingDB_50278322.docklog
1RZD.csv
1RZD.opt-protein-trim.mol2
bdb_1RZD_SO4_sim.txt
1RZD-results_BindingDB_26992.mol2
log-results.mol2
BindingDB_26994.docklog.mol2
1RZD_congener.mol2
1RZD-marked-protein.pdb
1RZD-voxthresh-2.pdb
BindingDB_50278322.mol2
BindingDB_26994.docklog
log-results_tab.log
1RZD_water.mol2
protein_sampling.mol2
BindingDB_26994.frags.mol2
1RZD_sdf.mol2
1RZD_sdf-log.txt
1RZD-voxthresh-7.pdb
1RZD-voxthresh-3.pdb
log
1RZD_ligand0.mol2
bdb_1RZD_SO4_3D.sdf
1RZD-marked-vox.pdb
BindingDB_26992.docklog.results_tab.log
1RZD-voxthresh-9.pdb
BindingDB_50278322.docklog.results_tab.log
BindingDB_26992.mol2
1RZD.Targets
BindingDB_26994.mol2
BindingDB_26991.docklog
BindingDB_50278322.docklog.mol2
1RZD-voxthresh-1.pdb
BindingDB_26991.frags.mol2
scale
frag2.mol2
BindingDB_26992.docklog.mol2
BindingDB_26992.frags.mol2
prot.mol2
1RZD.mol2
BindingDB_26991.docklog.results_tab.log
1RZD-voxthresh-0.pdb
1RZD-voxthresh-5.pdb
1RZD-voxthresh-8.pdb
1RZD-results_tab.log
1RZD-results_BindingDB_26991.mol2
BindingDB_50278322.frags.mol2
BindingDB_26991.mol2
SO4.sdf
1RZD_congener-log.txt
frag1.mol2
1RZD-protomol.mol2