Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50118239=UDP in crystal structure 3DJQ

1. 3DJQ-marked-vox.pdb
2. 3DJQ-marked-protein.pdb
3. BindingDB_50310540.docklog.results_tab.log
4. prot-log.txt
5. 3DJQ-voxthresh-2.pdb
6. BindingDB_50310540.docklog.mol2
7. 3DJQ-voxthresh-1.pdb
8. bdb_3DJQ_UDP_3D.sdf
9. 3DJQ-protomol.mol2
10. BindingDB_50292723.mol2
11. BindingDB_50118239.mol2
12. BindingDB_50118239.docklog.results_tab.log
13. BindingDB_50233301.docklog.mol2
14. BindingDB_50118239.frags.mol2
15. 3DJQ.mol2
16. BindingDB_50292723.frags.mol2
17. log-results.mol2
18. BindingDB_50233301.frags.mol2
19. 3DJQ_congener.mol2
20. 3DJQ-voxthresh-10.pdb
21. 3DJQ.Targets
22. 3DJQ-voxthresh-4.pdb
23. 3DJQ-voxthresh-8.pdb
24. log-results_tab.log
25. BindingDB_50233301.docklog.results_tab.log
26. 3DJQ.csv
27. BindingDB_50292723.docklog.results_tab.log
28. 3DJQ-results_tab.log
29. 3DJQ-voxthresh-6.pdb
30. 3DJQ-results_BindingDB_50118239.mol2
31. 3DJQ-voxthresh-0.pdb
32. BindingDB_50233301.docklog
33. protein_sampling.mol2
34. BindingDB_50310540.docklog
35. log
36. ligand_sampling.mol2
37. 3DJQ_sdf-log.txt
38. BindingDB_50310540.frags.mol2
39. 3DJQ-voxthresh-7.pdb
40. 3DJQ-results_BindingDB_50292723.mol2
41. 3DJQ_congener-log.txt
42. BindingDB_50292723.docklog
43. scale
44. frag2.mol2
45. bdb_3DJQ_UDP_sim.txt
46. prot.mol2
47. 3DJQ_sdf.mol2
48. BindingDB_50118239.docklog.mol2
49. 3DJQ-voxthresh-3.pdb
50. BindingDB_50118239.docklog
51. 3DJQ.opt-protein-trim.mol2
52. 3DJQ_ligand1.mol2
53. 3DJQ.pdb
54. 3DJQ_water.mol2
55. 3DJQ-results.mol2
56. BindingDB_50310540.mol2
57. BindingDB_50292723.docklog.mol2
58. UDP.sdf
59. BindingDB_50233301.mol2
60. 3DJQ-voxthresh-5.pdb
61. frag1.mol2
62. 3DJQ_ligand0.mol2
63. 3DJQ-voxthresh-9.pdb