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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM50304996
=
MK2
in crystal structure
3KC3
3KC3-voxthresh-0.pdb
3KC3-results_BindingDB_50304996.mol2
BindingDB_50304999.mol2
prot-log.txt
BindingDB_50304996.docklog.mol2
BindingDB_50304996.docklog.results_tab.log
3KC3-results_BindingDB_50304994.mol2
BindingDB_50304995.docklog
BindingDB_50304999.frags.mol2
3KC3.Targets
bdb_3KC3_MK2_sim.txt
BindingDB_50304993.docklog
3KC3_ligand2.mol2
BindingDB_50304998.frags.mol2
BindingDB_50304993.docklog.results_tab.log
BindingDB_50304996.mol2
BindingDB_50304999.docklog.results_tab.log
BindingDB_50304993.mol2
3KC3-results_tab.log
BindingDB_50302042.docklog.results_tab.log
BindingDB_50304996.docklog
log-results.mol2
3KC3-protomol.mol2
3KC3_congener-log.txt
3KC3.csv
3KC3-voxthresh-7.pdb
3KC3-marked-protein.pdb
BindingDB_50304994.docklog
BindingDB_50304993.frags.mol2
3KC3-voxthresh-3.pdb
3KC3-voxthresh-5.pdb
3KC3_sdf.mol2
3KC3-voxthresh-4.pdb
log-results_tab.log
BindingDB_50304998.mol2
3KC3.pdb
BindingDB_50304994.mol2
3KC3_ligand0.mol2
protein_sampling.mol2
MK2.sdf
3KC3-results_BindingDB_50304993.mol2
BindingDB_50304995.docklog.mol2
BindingDB_50304999.docklog.mol2
3KC3_ligand1.mol2
log
BindingDB_50304995.docklog.results_tab.log
BindingDB_50304998.docklog
3KC3_congener.mol2
BindingDB_50304998.docklog.mol2
BindingDB_50302042.docklog
3KC3-voxthresh-10.pdb
3KC3-voxthresh-9.pdb
BindingDB_50304999.docklog
scale
frag2.mol2
BindingDB_50304994.frags.mol2
prot.mol2
3KC3_sdf-log.txt
3KC3-results.mol2
3KC3-voxthresh-2.pdb
BindingDB_50302042.mol2
3KC3-voxthresh-8.pdb
BindingDB_50304994.docklog.mol2
BindingDB_50302042.docklog.mol2
3KC3-marked-vox.pdb
3KC3-voxthresh-1.pdb
BindingDB_50304993.docklog.mol2
BindingDB_50304994.docklog.results_tab.log
BindingDB_50304996.frags.mol2
BindingDB_50304995.frags.mol2
3KC3_water.mol2
3KC3-results_BindingDB_50304995.mol2
BindingDB_50304995.mol2
3KC3-voxthresh-6.pdb
BindingDB_50304998.docklog.results_tab.log
bdb_3KC3_MK2_3D.sdf
3KC3.mol2
frag1.mol2
3KC3.opt-protein-trim.mol2
BindingDB_50302042.frags.mol2