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Full input and output files for computationally docked structures of congeneric ligands similar to
BDBM50077537
=
HNT
in crystal structure
2G70
2G70_congener.mol2
BindingDB_50174130.frags.mol2
2G70_congener-log.txt
2G70_sdf.mol2
BindingDB_50077537.frags.mol2
BindingDB_50199511.frags.mol2
BindingDB_50077543.docklog
BindingDB_50077538.mol2
BindingDB_50160906.docklog
prot-log.txt
2G70-results_BindingDB_50174119.mol2
2G70-voxthresh-9.pdb
2G70-results_BindingDB_50080523.mol2
BindingDB_50077543.docklog.results_tab.log
BindingDB_50174115.docklog.results_tab.log
2G70-results.mol2
BindingDB_50160904.docklog
2G70-voxthresh-4.pdb
BindingDB_50160906.docklog.results_tab.log
BindingDB_50199511.docklog.results_tab.log
BindingDB_50174119.docklog.results_tab.log
BindingDB_50174130.docklog.results_tab.log
BindingDB_50160905.mol2
2G70-results_BindingDB_50160905.mol2
BindingDB_50080523.docklog
2G70-marked-protein.pdb
BindingDB_50174119.docklog
BindingDB_50160904.frags.mol2
2G70_ligand1.mol2
2G70-results_BindingDB_50160904.mol2
BindingDB_50199511.docklog.mol2
BindingDB_50160904.docklog.results_tab.log
BindingDB_50080523.mol2
BindingDB_50080523.docklog.mol2
BindingDB_50174130.mol2
BindingDB_50160905.docklog.results_tab.log
BindingDB_50160906.frags.mol2
bdb_2G70_HNT_sim.txt
2G70.Targets
BindingDB_50160906.mol2
BindingDB_50160904.docklog.mol2
BindingDB_50077538.docklog
BindingDB_50077537.docklog.mol2
log-results.mol2
BindingDB_50160906.docklog.mol2
BindingDB_50077538.docklog.mol2
BindingDB_50077544.docklog.mol2
BindingDB_50174119.docklog.mol2
BindingDB_50077537.mol2
2G70_ligand2.mol2
2G70-voxthresh-3.pdb
log-results_tab.log
BindingDB_50174119.mol2
2G70-voxthresh-1.pdb
protein_sampling.mol2
HNT.sdf
2G70-voxthresh-0.pdb
BindingDB_50080523.frags.mol2
2G70-results_tab.log
BindingDB_50077543.docklog.mol2
BindingDB_50077538.frags.mol2
2G70.pdb
BindingDB_50077537.docklog.results_tab.log
log
2G70.opt-protein-trim.mol2
ligand_sampling.mol2
BindingDB_50077544.mol2
BindingDB_50174130.docklog
BindingDB_50077538.docklog.results_tab.log
BindingDB_50174115.docklog.mol2
BindingDB_50160905.docklog.mol2
BindingDB_50174115.mol2
2G70-voxthresh-8.pdb
2G70.mol2
2G70-results_BindingDB_50077538.mol2
BindingDB_50077543.mol2
scale
frag2.mol2
2G70-results_BindingDB_50077537.mol2
2G70-results_BindingDB_50077543.mol2
prot.mol2
2G70-marked-vox.pdb
2G70.csv
2G70-results_BindingDB_50160906.mol2
2G70-voxthresh-6.pdb
2G70-voxthresh-7.pdb
2G70_sdf-log.txt
BindingDB_50199511.mol2
BindingDB_50077543.frags.mol2
UnDockable.list
BindingDB_50080523.docklog.results_tab.log
BindingDB_50174130.docklog.mol2
2G70_water.mol2
BindingDB_50174119.frags.mol2
BindingDB_50199511.docklog
BindingDB_50077537.docklog
BindingDB_50160905.frags.mol2
2G70-voxthresh-5.pdb
BindingDB_50160905.docklog
BindingDB_50160904.mol2
BindingDB_50077544.frags.mol2
BindingDB_50077544.docklog.results_tab.log
BindingDB_50174115.docklog
bdb_2G70_HNT_3D.sdf
2G70-protomol.mol2
BindingDB_50077544.docklog
2G70_ligand0.mol2
2G70-voxthresh-2.pdb
2G70-results_BindingDB_50174115.mol2
BindingDB_50174115.frags.mol2
frag1.mol2
2G70-results_BindingDB_50077544.mol2