Full input and output files for computationally docked structures of congeneric ligands similar to BDBM4567=DJK in crystal structure 2HWP

1. 2HWP.Targets
2. 2HWP-voxthresh-1.pdb
3. BindingDB_4583.docklog.results_tab.log
4. BindingDB_4567.docklog
5. 2HWP_sdf.mol2
6. prot-log.txt
7. DJK.sdf
8. 2HWP.csv
9. 2HWP-voxthresh-8.pdb
10. 2HWP_water.mol2
11. 2HWP-voxthresh-7.pdb
12. 2HWP.opt-protein-trim.mol2
13. 2HWP.mol2
14. BindingDB_31826.mol2
15. 2HWP-protomol.mol2
16. 2HWP-results.mol2
17. 2HWP-voxthresh-3.pdb
18. BindingDB_31826.docklog
19. 2HWP-results_BindingDB_4567.mol2
20. log-results.mol2
21. BindingDB_5446.docklog.mol2
22. 2HWP.pdb
23. BindingDB_4567.mol2
24. BindingDB_5446.docklog
25. BindingDB_4583.frags.mol2
26. log-results_tab.log
27. BindingDB_4567.docklog.results_tab.log
28. 2HWP_congener.mol2
29. BindingDB_31826.docklog.mol2
30. 2HWP_ligand0.mol2
31. protein_sampling.mol2
32. BindingDB_4583.docklog
33. BindingDB_5446.docklog.results_tab.log
34. 2HWP-voxthresh-2.pdb
35. BindingDB_4567.frags.mol2
36. BindingDB_31826.frags.mol2
37. BindingDB_4567.docklog.mol2
38. log
39. 2HWP-voxthresh-4.pdb
40. 2HWP-voxthresh-6.pdb
41. 2HWP-marked-protein.pdb
42. BindingDB_31826.docklog.results_tab.log
43. BindingDB_4583.mol2
44. scale
45. frag2.mol2
46. BindingDB_4583.docklog.mol2
47. prot.mol2
48. 2HWP_sdf-log.txt
49. BindingDB_5446.mol2
50. bdb_2HWP_DJK_sim.txt
51. 2HWP-voxthresh-0.pdb
52. 2HWP_congener-log.txt
53. 2HWP-voxthresh-9.pdb
54. 2HWP-results_BindingDB_4583.mol2
55. bdb_2HWP_DJK_3D.sdf
56. BindingDB_5446.frags.mol2
57. 2HWP-voxthresh-5.pdb
58. 2HWP-results_tab.log
59. 2HWP-marked-vox.pdb
60. frag1.mol2