Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50121720=R64 in crystal structure 1IYL

1. 1IYL-voxthresh-10.pdb
2. 1IYL-voxthresh-3.pdb
3. 1IYL.pdb
4. 1IYL-voxthresh-1.pdb
5. 1IYL-results_BindingDB_50121720.mol2
6. BindingDB_50101968.docklog.results_tab.log
7. 1IYL-marked-vox.pdb
8. BindingDB_50101966.mol2
9. BindingDB_50101968.mol2
10. prot-log.txt
11. 1IYL-protomol.mol2
12. BindingDB_50121720.frags.mol2
13. BindingDB_50101968.docklog.mol2
14. 1IYL_congener.mol2
15. BindingDB_50109879.docklog.mol2
16. BindingDB_50109882.docklog
17. BindingDB_50101968.frags.mol2
18. R64.sdf
19. BindingDB_50101966.frags.mol2
20. 1IYL-results_BindingDB_50101968.mol2
21. BindingDB_50109882.frags.mol2
22. 1IYL-voxthresh-0.pdb
23. log-results.mol2
24. BindingDB_50109882.docklog.mol2
25. 1IYL-voxthresh-4.pdb
26. 1IYL-voxthresh-9.pdb
27. 1IYL-results_BindingDB_50109882.mol2
28. 1IYL-results_tab.log
29. 1IYL.opt-protein-trim.mol2
30. BindingDB_50101966.docklog
31. log-results_tab.log
32. BindingDB_50109879.mol2
33. 1IYL_sdf-log.txt
34. 1IYL.csv
35. protein_sampling.mol2
36. 1IYL_congener-log.txt
37. 1IYL.Targets
38. 1IYL-results.mol2
39. log
40. 1IYL-marked-protein.pdb
41. BindingDB_50101968.docklog
42. 1IYL-results_BindingDB_50109879.mol2
43. BindingDB_50101966.docklog.mol2
44. 1IYL-voxthresh-5.pdb
45. scale
46. 1IYL_ligand0.mol2
47. frag2.mol2
48. BindingDB_50101966.docklog.results_tab.log
49. prot.mol2
50. 1IYL-voxthresh-7.pdb
51. 1IYL-voxthresh-8.pdb
52. 1IYL-voxthresh-2.pdb
53. BindingDB_50121720.mol2
54. 1IYL_sdf.mol2
55. BindingDB_50109882.mol2
56. BindingDB_50109882.docklog.results_tab.log
57. BindingDB_50109879.docklog
58. BindingDB_50121720.docklog.mol2
59. BindingDB_50109879.docklog.results_tab.log
60. bdb_1IYL_R64_3D.sdf
61. BindingDB_50109879.frags.mol2
62. 1IYL-voxthresh-6.pdb
63. frag1.mol2
64. bdb_1IYL_R64_sim.txt
65. BindingDB_50121720.docklog.results_tab.log
66. BindingDB_50121720.docklog
67. 1IYL.mol2