Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50123046=PFA in crystal structure 1N46

1. BindingDB_50123056.docklog
2. 1N46-marked-protein.pdb
3. 1N46_sdf-log.txt
4. BindingDB_50123046.mol2
5. 1N46-voxthresh-2.pdb
6. prot-log.txt
7. PFA.sdf
8. 1N46_congener-log.txt
9. BindingDB_50304780.mol2
10. bdb_1N46_PFA_3D.sdf
11. BindingDB_50123046.docklog.mol2
12. BindingDB_50123056.docklog.results_tab.log
13. 1N46_sdf.mol2
14. 1N46-voxthresh-3.pdb
15. BindingDB_50123056.docklog.mol2
16. 1N46-marked-vox.pdb
17. 1N46.csv
18. 1N46-voxthresh-8.pdb
19. BindingDB_50304780.frags.mol2
20. 1N46.mol2
21. log-results.mol2
22. 1N46.opt-protein-trim.mol2
23. BindingDB_50304780.docklog.results_tab.log
24. 1N46-results_BindingDB_50123046.mol2
25. 1N46_water.mol2
26. log-results_tab.log
27. 1N46-voxthresh-10.pdb
28. protein_sampling.mol2
29. BindingDB_50304780.docklog.mol2
30. log
31. BindingDB_50123046.docklog
32. 1N46-voxthresh-9.pdb
33. ligand_sampling.mol2
34. 1N46.pdb
35. 1N46-results_tab.log
36. BindingDB_50123056.mol2
37. BindingDB_50304780.docklog
38. 1N46-results_BindingDB_50123056.mol2
39. scale
40. frag2.mol2
41. 1N46-voxthresh-4.pdb
42. 1N46-results.mol2
43. prot.mol2
44. BindingDB_50123046.docklog.results_tab.log
45. 1N46-voxthresh-1.pdb
46. 1N46_ligand0.mol2
47. 1N46.Targets
48. 1N46-voxthresh-6.pdb
49. BindingDB_50123046.frags.mol2
50. bdb_1N46_PFA_sim.txt
51. 1N46-voxthresh-5.pdb
52. 1N46-protomol.mol2
53. 1N46_ligand1.mol2
54. BindingDB_50123056.frags.mol2
55. 1N46-voxthresh-0.pdb
56. 1N46_congener.mol2
57. frag1.mol2
58. 1N46-voxthresh-7.pdb