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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM24633
=
LZC
in crystal structure
2VTS
BindingDB_11429.docklog.mol2
BindingDB_11431.mol2
2VTS-results_BindingDB_11430.mol2
2VTS-results_BindingDB_11429.mol2
BindingDB_50388785.frags.mol2
BindingDB_50388786.docklog
prot-log.txt
BindingDB_11434.docklog.results_tab.log
BindingDB_50388785.mol2
BindingDB_11429.frags.mol2
BindingDB_11434.frags.mol2
BindingDB_11430.docklog.results_tab.log
2VTS-protomol.mol2
BindingDB_11428.docklog.results_tab.log
BindingDB_11428.frags.mol2
BindingDB_50388786.docklog.results_tab.log
2VTS-results_BindingDB_11441.mol2
BindingDB_50388786.frags.mol2
BindingDB_11436.docklog.results_tab.log
BindingDB_50388785.docklog.results_tab.log
BindingDB_11430.mol2
BindingDB_11454.docklog.results_tab.log
BindingDB_11434.docklog
BindingDB_11439.mol2
BindingDB_11454.mol2
2VTS-results.mol2
2VTS-voxthresh-1.pdb
2VTS.csv
BindingDB_11452.docklog
BindingDB_50388784.docklog
BindingDB_11439.docklog
BindingDB_11436.docklog.mol2
BindingDB_11429.docklog
BindingDB_50388786.mol2
bdb_2VTS_LZC_3D.sdf
2VTS-voxthresh-2.pdb
BindingDB_11430.docklog.mol2
2VTS.Targets
BindingDB_50388782.docklog.results_tab.log
2VTS-voxthresh-10.pdb
2VTS-voxthresh-9.pdb
BindingDB_11441.docklog.results_tab.log
BindingDB_11454.docklog.mol2
BindingDB_11452.docklog.mol2
log-results.mol2
BindingDB_11431.docklog
BindingDB_11433.docklog
BindingDB_11428.docklog
2VTS-results_BindingDB_24632.mol2
2VTS_congener.mol2
2VTS_sdf.mol2
2VTS.mol2
2VTS_congener-log.txt
BindingDB_11436.mol2
BindingDB_11436.frags.mol2
BindingDB_11429.docklog.results_tab.log
BindingDB_11441.frags.mol2
BindingDB_11434.mol2
2VTS.pdb
BindingDB_11428.docklog.mol2
BindingDB_11454.frags.mol2
BindingDB_24632.mol2
BindingDB_11431.docklog.mol2
BindingDB_11439.docklog.results_tab.log
log-results_tab.log
BindingDB_11433.mol2
BindingDB_11432.docklog
BindingDB_11454.docklog
BindingDB_11440.docklog
BindingDB_11430.docklog
BindingDB_24632.docklog.results_tab.log
BindingDB_11439.frags.mol2
BindingDB_11432.mol2
BindingDB_50388783.docklog.mol2
2VTS-voxthresh-0.pdb
2VTS-results_BindingDB_11436.mol2
BindingDB_24632.docklog
2VTS-results_BindingDB_11428.mol2
BindingDB_11433.frags.mol2
BindingDB_11432.frags.mol2
BindingDB_50388785.docklog
BindingDB_50388785.docklog.mol2
log
BindingDB_50388782.docklog.mol2
2VTS-voxthresh-5.pdb
BindingDB_50388784.docklog.mol2
BindingDB_24632.docklog.mol2
BindingDB_24633.docklog.results_tab.log
BindingDB_50388784.mol2
BindingDB_11452.docklog.results_tab.log
2VTS-results_BindingDB_11431.mol2
2VTS-voxthresh-4.pdb
bdb_2VTS_LZC_sim.txt
BindingDB_11440.docklog.results_tab.log
BindingDB_11440.frags.mol2
2VTS.opt-protein-trim.mol2
2VTS-voxthresh-6.pdb
scale
2VTS_water.mol2
BindingDB_24633.docklog.mol2
BindingDB_24632.frags.mol2
frag2.mol2
BindingDB_50388784.docklog.results_tab.log
prot.mol2
BindingDB_11452.mol2
2VTS-results_tab.log
BindingDB_11434.docklog.mol2
2VTS-results_BindingDB_11433.mol2
BindingDB_50388786.docklog.mol2
BindingDB_50388783.mol2
BindingDB_11432.docklog.results_tab.log
UnDockable.list
BindingDB_50388782.docklog
2VTS-results_BindingDB_11434.mol2
BindingDB_11441.docklog
2VTS-marked-protein.pdb
2VTS-voxthresh-8.pdb
BindingDB_11440.mol2
BindingDB_11431.frags.mol2
BindingDB_50388782.mol2
BindingDB_11432.docklog.mol2
BindingDB_24633.frags.mol2
BindingDB_24633.mol2
BindingDB_50388783.frags.mol2
BindingDB_11436.docklog
2VTS_sdf-log.txt
BindingDB_11433.docklog.results_tab.log
2VTS-marked-vox.pdb
BindingDB_11431.docklog.results_tab.log
BindingDB_11428.mol2
BindingDB_11440.docklog.mol2
2VTS-voxthresh-7.pdb
BindingDB_11433.docklog.mol2
BindingDB_11429.mol2
BindingDB_11441.mol2
BindingDB_24633.docklog
BindingDB_50388783.docklog
BindingDB_50388784.frags.mol2
2VTS-results_BindingDB_24633.mol2
BindingDB_11452.frags.mol2
2VTS-voxthresh-3.pdb
BindingDB_11441.docklog.mol2
BindingDB_11439.docklog.mol2
BindingDB_50388783.docklog.results_tab.log
BindingDB_11430.frags.mol2
frag1.mol2
LZC.sdf
BindingDB_50388782.frags.mol2
2VTS_ligand0.mol2