Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50077225=TDG in crystal structure 3OYW

1. 3OYW-marked-protein.pdb
2. BindingDB_50077225.docklog.results_tab.log
3. 3OYW_water.mol2
4. prot-log.txt
5. TDG.sdf
6. 3OYW.mol2
7. 3OYW-voxthresh-5.pdb
8. BindingDB_50272382.docklog.results_tab.log
9. bdb_3OYW_TDG_3D.sdf
10. 3OYW-voxthresh-7.pdb
11. 3OYW-voxthresh-1.pdb
12. 3OYW-protomol.mol2
13. 3OYW_congener-log.txt
14. log-results.mol2
15. 3OYW_ligand5.mol2
16. BindingDB_50272382.docklog
17. 3OYW-voxthresh-3.pdb
18. 3OYW-voxthresh-9.pdb
19. 3OYW_ligand3.mol2
20. BindingDB_50077225.docklog.mol2
21. 3OYW_congener.mol2
22. 3OYW-voxthresh-4.pdb
23. log-results_tab.log
24. BindingDB_50272382.docklog.mol2
25. protein_sampling.mol2
26. BindingDB_50272382.frags.mol2
27. BindingDB_50077225.mol2
28. 3OYW_sdf-log.txt
29. 3OYW-results_tab.log
30. log
31. 3OYW_ligand7.mol2
32. ligand_sampling.mol2
33. bdb_3OYW_TDG_sim.txt
34. 3OYW-voxthresh-6.pdb
35. 3OYW-results_BindingDB_50077225.mol2
36. scale
37. 3OYW.csv
38. 3OYW-voxthresh-8.pdb
39. frag2.mol2
40. 3OYW-marked-vox.pdb
41. prot.mol2
42. 3OYW-voxthresh-0.pdb
43. 3OYW.Targets
44. 3OYW-results.mol2
45. BindingDB_50077225.frags.mol2
46. 3OYW_ligand4.mol2
47. BindingDB_50272382.mol2
48. 3OYW-voxthresh-2.pdb
49. 3OYW_ligand0.mol2
50. 3OYW_ligand6.mol2
51. 3OYW_ligand2.mol2
52. 3OYW.opt-protein-trim.mol2
53. BindingDB_50077225.docklog
54. 3OYW-voxthresh-10.pdb
55. 3OYW_ligand1.mol2
56. frag1.mol2
57. 3OYW_sdf.mol2
58. 3OYW.pdb