Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14776=VDN in crystal structure 1XOT

1. BindingDB_14776.docklog.results_tab.log
2. 1XOT_sdf.mol2
3. BindingDB_14390.docklog.results_tab.log
4. 1XOT.csv
5. prot-log.txt
6. 1XOT-voxthresh-3.pdb
7. 1XOT-voxthresh-10.pdb
8. 1XOT_sdf-log.txt
9. BindingDB_14390.mol2
10. 1XOT_congener-log.txt
11. 1XOT.Targets
12. BindingDB_14390.docklog
13. 1XOT-results_BindingDB_14776.mol2
14. BindingDB_14390.docklog.mol2
15. 1XOT_ligand1.mol2
16. 1XOT-results_BindingDB_14390.mol2
17. 1XOT.pdb
18. 1XOT-marked-vox.pdb
19. 1XOT_congener.mol2
20. log-results.mol2
21. 1XOT-voxthresh-0.pdb
22. 1XOT-protomol.mol2
23. 1XOT-marked-protein.pdb
24. 1XOT.opt-protein-trim.mol2
25. 1XOT-voxthresh-2.pdb
26. log-results_tab.log
27. 1XOT-voxthresh-9.pdb
28. bdb_1XOT_VDN_3D.sdf
29. protein_sampling.mol2
30. 1XOT_water.mol2
31. 1XOT-results.mol2
32. log
33. bdb_1XOT_VDN_sim.txt
34. 1XOT-voxthresh-7.pdb
35. 1XOT_ligand0.mol2
36. scale
37. frag2.mol2
38. BindingDB_14776.mol2
39. prot.mol2
40. 1XOT-voxthresh-8.pdb
41. BindingDB_14390.frags.mol2
42. 1XOT-voxthresh-4.pdb
43. VDN.sdf
44. 1XOT-results_tab.log
45. 1XOT-voxthresh-1.pdb
46. 1XOT.mol2
47. 1XOT-voxthresh-5.pdb
48. BindingDB_14776.docklog
49. 1XOT-voxthresh-6.pdb
50. BindingDB_14776.docklog.mol2
51. frag1.mol2
52. BindingDB_14776.frags.mol2