Full input and output files for computationally docked structures of congeneric ligands similar to BDBM772=BEN in crystal structure 1RTF

1. BindingDB_12591.docklog.results_tab.log
2. BindingDB_12591.docklog
3. 1RTF_ligand1.mol2
4. 1RTF.Targets
5. prot-log.txt
6. 1RTF_sdf.mol2
7. 1RTF-results_BindingDB_50138663.mol2
8. 1RTF_ligand0.mol2
9. 1RTF-protomol.mol2
10. BindingDB_50038002.docklog.results_tab.log
11. 1RTF-voxthresh-4.pdb
12. 1RTF-voxthresh-5.pdb
13. BindingDB_50138663.docklog.mol2
14. BindingDB_50038002.docklog.mol2
15. 1RTF-voxthresh-9.pdb
16. BindingDB_50038002.mol2
17. log-results.mol2
18. 1RTF-marked-protein.pdb
19. 1RTF-voxthresh-3.pdb
20. BindingDB_50157082.mol2
21. log-results_tab.log
22. bdb_1RTF_BEN_sim.txt
23. BindingDB_50138663.docklog
24. protein_sampling.mol2
25. 1RTF-voxthresh-1.pdb
26. BindingDB_50138663.docklog.results_tab.log
27. BEN.sdf
28. BindingDB_12591.mol2
29. log
30. 1RTF_water.mol2
31. 1RTF-marked-vox.pdb
32. 1RTF-results.mol2
33. 1RTF-results_BindingDB_12591.mol2
34. 1RTF.csv
35. 1RTF-voxthresh-0.pdb
36. BindingDB_50157082.frags.mol2
37. 1RTF.mol2
38. 1RTF.pdb
39. scale
40. frag2.mol2
41. bdb_1RTF_BEN_3D.sdf
42. 1RTF-results_tab.log
43. prot.mol2
44. BindingDB_50038002.frags.mol2
45. BindingDB_50138663.mol2
46. 1RTF_congener-log.txt
47. 1RTF-voxthresh-7.pdb
48. BindingDB_50157082.docklog
49. 1RTF-voxthresh-6.pdb
50. BindingDB_50138663.frags.mol2
51. BindingDB_50038002.docklog
52. 1RTF_sdf-log.txt
53. 1RTF_congener.mol2
54. 1RTF-voxthresh-8.pdb
55. 1RTF-voxthresh-2.pdb
56. BindingDB_12591.docklog.mol2
57. BindingDB_12591.frags.mol2
58. BindingDB_50157082.docklog.mol2
59. BindingDB_50157082.docklog.results_tab.log
60. frag1.mol2
61. 1RTF.opt-protein-trim.mol2