Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50117919=VIA in crystal structure 1XOS

1. BindingDB_14776.docklog.results_tab.log
2. BindingDB_14390.docklog.results_tab.log
3. prot-log.txt
4. bdb_1XOS_VIA_3D.sdf
5. BindingDB_14390.mol2
6. BindingDB_14390.docklog
7. 1XOS_sdf-log.txt
8. 1XOS-voxthresh-10.pdb
9. 1XOS-results_BindingDB_14390.mol2
10. BindingDB_14390.docklog.mol2
11. 1XOS-voxthresh-4.pdb
12. 1XOS_congener.mol2
13. 1XOS-results.mol2
14. log-results.mol2
15. 1XOS-marked-vox.pdb
16. 1XOS.opt-protein-trim.mol2
17. 1XOS-voxthresh-5.pdb
18. 1XOS-voxthresh-1.pdb
19. 1XOS_sdf.mol2
20. 1XOS_ligand0.mol2
21. 1XOS-voxthresh-8.pdb
22. log-results_tab.log
23. 1XOS.Targets
24. 1XOS.mol2
25. bdb_1XOS_VIA_sim.txt
26. protein_sampling.mol2
27. 1XOS_ligand1.mol2
28. 1XOS_ligand2.mol2
29. 1XOS.csv
30. 1XOS-results_tab.log
31. 1XOS-marked-protein.pdb
32. log
33. ligand_sampling.mol2
34. 1XOS.pdb
35. 1XOS-voxthresh-2.pdb
36. 1XOS-voxthresh-9.pdb
37. scale
38. frag2.mol2
39. BindingDB_14776.mol2
40. prot.mol2
41. 1XOS_ligand3.mol2
42. BindingDB_14390.frags.mol2
43. 1XOS-protomol.mol2
44. 1XOS_water.mol2
45. 1XOS-voxthresh-6.pdb
46. 1XOS-voxthresh-7.pdb
47. 1XOS_ligand4.mol2
48. 1XOS-voxthresh-3.pdb
49. BindingDB_14776.docklog
50. 1XOS-voxthresh-0.pdb
51. BindingDB_14776.docklog.mol2
52. frag1.mol2
53. BindingDB_14776.frags.mol2
54. 1XOS_congener-log.txt
55. VIA.sdf