Full input and output files for computationally docked structures of congeneric ligands similar to BDBM26992=SO4 in crystal structure 3MNU

1. BindingDB_26992.docklog
2. prot-log.txt
3. 3MNU-voxthresh-0.pdb
4. 3MNU.mol2
5. 3MNU-results_tab.log
6. 3MNU-voxthresh-8.pdb
7. BindingDB_26991.docklog.mol2
8. 3MNU-voxthresh-3.pdb
9. BindingDB_50339817.frags.mol2
10. BindingDB_50333756.mol2
11. 3MNU-voxthresh-6.pdb
12. bdb_3MNU_SO4_sim.txt
13. 3MNU.pdb
14. BindingDB_50339817.docklog.results_tab.log
15. 3MNU-voxthresh-7.pdb
16. 3MNU_ligand0.mol2
17. 3MNU-voxthresh-5.pdb
18. 3MNU.opt-protein-trim.mol2
19. BindingDB_50339817.docklog.mol2
20. log-results.mol2
21. 3MNU_congener.mol2
22. 3MNU_ligand1.mol2
23. BindingDB_50339817.docklog
24. BindingDB_50333756.frags.mol2
25. log-results_tab.log
26. 3MNU-voxthresh-1.pdb
27. log
28. BindingDB_50333756.docklog
29. BindingDB_50333756.docklog.mol2
30. 3MNU.csv
31. 3MNU-results.mol2
32. BindingDB_26992.docklog.results_tab.log
33. BindingDB_50339817.mol2
34. BindingDB_26992.mol2
35. 3MNU-marked-vox.pdb
36. BindingDB_26991.docklog
37. BindingDB_26991.frags.mol2
38. scale
39. 3MNU-voxthresh-2.pdb
40. 3MNU_ligand3.mol2
41. frag2.mol2
42. BindingDB_26992.docklog.mol2
43. BindingDB_26992.frags.mol2
44. prot.mol2
45. 3MNU_sdf.mol2
46. BindingDB_26991.docklog.results_tab.log
47. 3MNU_sdf-log.txt
48. 3MNU-protomol.mol2
49. 3MNU_congener-log.txt
50. 3MNU-results_BindingDB_26992.mol2
51. 3MNU-voxthresh-9.pdb
52. BindingDB_26991.mol2
53. 3MNU-voxthresh-4.pdb
54. 3MNU_water.mol2
55. SO4.sdf
56. 3MNU.Targets
57. BindingDB_50333756.docklog.results_tab.log
58. bdb_3MNU_SO4_3D.sdf
59. 3MNU-marked-protein.pdb
60. frag1.mol2
61. 3MNU_ligand2.mol2