Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14028=H52 in crystal structure 2GNH

1. BindingDB_14027.docklog
2. BindingDB_14028.docklog.results_tab.log
3. 2GNH_sdf-log.txt
4. prot-log.txt
5. H52.sdf
6. 2GNH_congener.mol2
7. 2GNH-voxthresh-6.pdb
8. BindingDB_14027.docklog.results_tab.log
9. 2GNH-voxthresh-7.pdb
10. 2GNH-results_tab.log
11. 2GNH-results_BindingDB_14028.mol2
12. 2GNH_ligand4.mol2
13. 2GNH_congener-log.txt
14. 2GNH-voxthresh-8.pdb
15. log-results.mol2
16. 2GNH_water.mol2
17. 2GNH-voxthresh-9.pdb
18. 2GNH.csv
19. 2GNH_sdf.mol2
20. log-results_tab.log
21. 2GNH_ligand0.mol2
22. 2GNH-voxthresh-5.pdb
23. 2GNH-results.mol2
24. 2GNH-marked-vox.pdb
25. 2GNH-voxthresh-1.pdb
26. log
27. 2GNH-results_BindingDB_14027.mol2
28. BindingDB_14028.docklog
29. 2GNH-protomol.mol2
30. BindingDB_14028.frags.mol2
31. scale
32. frag2.mol2
33. 2GNH_ligand2.mol2
34. prot.mol2
35. 2GNH.Targets
36. BindingDB_14027.frags.mol2
37. 2GNH-marked-protein.pdb
38. 2GNH.opt-protein-trim.mol2
39. BindingDB_14027.docklog.mol2
40. bdb_2GNH_H52_sim.txt
41. BindingDB_14028.mol2
42. 2GNH.mol2
43. 2GNH-voxthresh-3.pdb
44. bdb_2GNH_H52_3D.sdf
45. BindingDB_14027.mol2
46. 2GNH-voxthresh-2.pdb
47. BindingDB_14028.docklog.mol2
48. 2GNH-voxthresh-4.pdb
49. 2GNH.pdb
50. 2GNH_ligand3.mol2
51. 2GNH_ligand1.mol2
52. frag1.mol2
53. 2GNH-voxthresh-0.pdb