Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14774=ROF in crystal structure 1XMU

1. 1XMU-marked-vox.pdb
2. 1XMU-voxthresh-8.pdb
3. prot-log.txt
4. 1XMU-voxthresh-0.pdb
5. BindingDB_14774.docklog.results_tab.log
6. BindingDB_14774.docklog
7. 1XMU-voxthresh-9.pdb
8. bdb_1XMU_ROF_3D.sdf
9. 1XMU.csv
10. BindingDB_14774.mol2
11. 1XMU_sdf-log.txt
12. BindingDB_14775.frags.mol2
13. 1XMU.opt-protein-trim.mol2
14. 1XMU-voxthresh-6.pdb
15. 1XMU_congener.mol2
16. 1XMU_ligand2.mol2
17. 1XMU-protomol.mol2
18. log-results.mol2
19. BindingDB_14774.docklog.mol2
20. bdb_1XMU_ROF_sim.txt
21. 1XMU.mol2
22. BindingDB_14775.mol2
23. log-results_tab.log
24. BindingDB_14774.frags.mol2
25. 1XMU-voxthresh-4.pdb
26. protein_sampling.mol2
27. BindingDB_14775.docklog
28. 1XMU_congener-log.txt
29. 1XMU_ligand1.mol2
30. log
31. 1XMU-results.mol2
32. BindingDB_14775.docklog.mol2
33. 1XMU-voxthresh-10.pdb
34. 1XMU.pdb
35. 1XMU-voxthresh-7.pdb
36. scale
37. BindingDB_14775.docklog.results_tab.log
38. frag2.mol2
39. prot.mol2
40. 1XMU-results_tab.log
41. 1XMU-marked-protein.pdb
42. 1XMU-voxthresh-5.pdb
43. 1XMU-results_BindingDB_14774.mol2
44. 1XMU-voxthresh-1.pdb
45. 1XMU-voxthresh-3.pdb
46. 1XMU.Targets
47. 1XMU-voxthresh-2.pdb
48. 1XMU_ligand0.mol2
49. ROF.sdf
50. 1XMU_sdf.mol2
51. frag1.mol2
52. 1XMU_water.mol2