Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50292723=U2P in crystal structure 3DJO

1. U2P.sdf
2. prot-log.txt
3. 3DJO-voxthresh-4.pdb
4. 3DJO-voxthresh-1.pdb
5. 3DJO-results_BindingDB_50292723.mol2
6. bdb_3DJO_U2P_sim.txt
7. 3DJO_ligand1.mol2
8. 3DJO_ligand3.mol2
9. 3DJO-marked-protein.pdb
10. 3DJO.Targets
11. BindingDB_50292723.mol2
12. 3DJO-voxthresh-9.pdb
13. 3DJO-voxthresh-3.pdb
14. 3DJO.csv
15. BindingDB_50118239.mol2
16. 3DJO-voxthresh-2.pdb
17. 3DJO-results_BindingDB_50118239.mol2
18. BindingDB_50292722.docklog.results_tab.log
19. BindingDB_50292722.mol2
20. BindingDB_50118239.docklog.results_tab.log
21. 3DJO-voxthresh-0.pdb
22. BindingDB_50233301.docklog.mol2
23. BindingDB_50118239.frags.mol2
24. BindingDB_50292723.frags.mol2
25. log-results.mol2
26. BindingDB_50292722.docklog.mol2
27. BindingDB_50233301.frags.mol2
28. 3DJO-results_BindingDB_50292722.mol2
29. bdb_3DJO_U2P_3D.sdf
30. 3DJO_ligand0.mol2
31. 3DJO_sdf-log.txt
32. log-results_tab.log
33. BindingDB_50233301.docklog.results_tab.log
34. BindingDB_50292723.docklog.results_tab.log
35. 3DJO_ligand2.mol2
36. BindingDB_50233301.docklog
37. protein_sampling.mol2
38. 3DJO.mol2
39. 3DJO.pdb
40. log
41. ligand_sampling.mol2
42. 3DJO-voxthresh-6.pdb
43. 3DJO-marked-vox.pdb
44. BindingDB_50292722.docklog
45. BindingDB_50292723.docklog
46. 3DJO-voxthresh-7.pdb
47. 3DJO-protomol.mol2
48. scale
49. 3DJO-voxthresh-5.pdb
50. frag2.mol2
51. 3DJO-results_tab.log
52. prot.mol2
53. BindingDB_50292722.frags.mol2
54. 3DJO_congener-log.txt
55. 3DJO-voxthresh-8.pdb
56. BindingDB_50118239.docklog.mol2
57. BindingDB_50118239.docklog
58. 3DJO_water.mol2
59. 3DJO-voxthresh-10.pdb
60. 3DJO_congener.mol2
61. BindingDB_50292723.docklog.mol2
62. BindingDB_50233301.mol2
63. 3DJO_sdf.mol2
64. 3DJO-results.mol2
65. 3DJO.opt-protein-trim.mol2
66. frag1.mol2