Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14677=256 in crystal structure 1O4Q

1. 1O4Q.opt-protein-trim.mol2
2. BindingDB_14677.mol2
3. BindingDB_50113758.docklog
4. prot-log.txt
5. 1O4Q-voxthresh-10.pdb
6. 1O4Q-voxthresh-0.pdb
7. 1O4Q.Targets
8. BindingDB_50113758.docklog.results_tab.log
9. bdb_1O4Q_256_sim.txt
10. 1O4Q-voxthresh-9.pdb
11. 1O4Q-marked-protein.pdb
12. 1O4Q.pdb
13. 1O4Q-voxthresh-8.pdb
14. 1O4Q-protomol.mol2
15. BindingDB_14677.frags.mol2
16. log-results.mol2
17. 1O4Q-voxthresh-1.pdb
18. 1O4Q_congener.mol2
19. 1O4Q-voxthresh-3.pdb
20. 1O4Q-voxthresh-4.pdb
21. BindingDB_14677.docklog.mol2
22. 1O4Q-voxthresh-7.pdb
23. 1O4Q-marked-vox.pdb
24. log-results_tab.log
25. 1O4Q_congener-log.txt
26. protein_sampling.mol2
27. 1O4Q-results.mol2
28. 1O4Q_sdf-log.txt
29. bdb_1O4Q_256_3D.sdf
30. 1O4Q-voxthresh-5.pdb
31. 1O4Q_water.mol2
32. 1O4Q.csv
33. BindingDB_50113758.docklog.mol2
34. 1O4Q_ligand0.mol2
35. 1O4Q_sdf.mol2
36. BindingDB_14677.docklog.results_tab.log
37. log
38. 1O4Q-results_BindingDB_14677.mol2
39. 1O4Q-voxthresh-6.pdb
40. 1O4Q.mol2
41. scale
42. frag2.mol2
43. prot.mol2
44. BindingDB_14677.docklog
45. 1O4Q-voxthresh-2.pdb
46. BindingDB_50113758.frags.mol2
47. 256.sdf
48. frag1.mol2
49. BindingDB_50113758.mol2
50. 1O4Q-results_tab.log