Full input and output files for computationally docked structures of congeneric ligands similar to BDBM21961=DP9 in crystal structure 1ZZQ

1. 1ZZQ-voxthresh-5.pdb
2. BindingDB_21960.docklog.mol2
3. prot-log.txt
4. BindingDB_21961.frags.mol2
5. 1ZZQ_ligand4.mol2
6. BindingDB_22030.docklog.mol2
7. 1ZZQ_water.mol2
8. 1ZZQ_ligand3.mol2
9. BindingDB_21961.docklog.mol2
10. 1ZZQ-voxthresh-8.pdb
11. BindingDB_21960.mol2
12. 1ZZQ-results_BindingDB_21961.mol2
13. log-results.mol2
14. 1ZZQ_ligand9.mol2
15. 1ZZQ_sdf-log.txt
16. BindingDB_21961.docklog
17. BindingDB_21961.mol2
18. 1ZZQ_congener-log.txt
19. 1ZZQ-results_tab.log
20. 1ZZQ-marked-protein.pdb
21. 1ZZQ_ligand5.mol2
22. BindingDB_21961.docklog.results_tab.log
23. 1ZZQ.Targets
24. log-results_tab.log
25. protein_sampling.mol2
26. BindingDB_22030.mol2
27. 1ZZQ-voxthresh-6.pdb
28. 1ZZQ_ligand6.mol2
29. log
30. ligand_sampling.mol2
31. 1ZZQ_ligand2.mol2
32. bdb_1ZZQ_DP9_sim.txt
33. 1ZZQ.pdb
34. BindingDB_21960.docklog.results_tab.log
35. 1ZZQ.csv
36. 1ZZQ_ligand0.mol2
37. BindingDB_21960.frags.mol2
38. 1ZZQ-marked-vox.pdb
39. scale
40. 1ZZQ-voxthresh-4.pdb
41. frag2.mol2
42. prot.mol2
43. 1ZZQ-voxthresh-3.pdb
44. 1ZZQ-voxthresh-7.pdb
45. 1ZZQ_ligand8.mol2
46. 1ZZQ-voxthresh-9.pdb
47. 1ZZQ-protomol.mol2
48. DP9.sdf
49. 1ZZQ-results_BindingDB_21960.mol2
50. BindingDB_21960.docklog
51. BindingDB_22030.docklog.results_tab.log
52. 1ZZQ_ligand1.mol2
53. 1ZZQ_ligand7.mol2
54. BindingDB_22030.frags.mol2
55. 1ZZQ_congener.mol2
56. 1ZZQ-voxthresh-1.pdb
57. 1ZZQ-voxthresh-0.pdb
58. bdb_1ZZQ_DP9_3D.sdf
59. BindingDB_22030.docklog
60. 1ZZQ-voxthresh-2.pdb
61. 1ZZQ_sdf.mol2
62. frag1.mol2
63. 1ZZQ.mol2
64. 1ZZQ-results.mol2
65. 1ZZQ.opt-protein-trim.mol2