Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14676=791 in crystal structure 1O4P

1. 1O4P.mol2
2. prot-log.txt
3. 1O4P-voxthresh-8.pdb
4. BindingDB_50113766.docklog.mol2
5. 1O4P-voxthresh-7.pdb
6. BindingDB_50113766.docklog.results_tab.log
7. 1O4P_sdf.mol2
8. 1O4P-voxthresh-1.pdb
9. BindingDB_14676.mol2
10. 1O4P-results_BindingDB_14676.mol2
11. 791.sdf
12. 1O4P-voxthresh-5.pdb
13. BindingDB_50113766.mol2
14. 1O4P-results_tab.log
15. log-results.mol2
16. 1O4P.pdb
17. bdb_1O4P_791_sim.txt
18. 1O4P-protomol.mol2
19. log-results_tab.log
20. 1O4P-marked-vox.pdb
21. 1O4P.opt-protein-trim.mol2
22. BindingDB_14676.frags.mol2
23. protein_sampling.mol2
24. bdb_1O4P_791_3D.sdf
25. 1O4P-voxthresh-9.pdb
26. log
27. 1O4P-marked-protein.pdb
28. 1O4P-voxthresh-2.pdb
29. 1O4P-voxthresh-4.pdb
30. BindingDB_14676.docklog
31. scale
32. frag2.mol2
33. 1O4P.Targets
34. prot.mol2
35. 1O4P_congener-log.txt
36. 1O4P-voxthresh-6.pdb
37. 1O4P_ligand0.mol2
38. BindingDB_50113766.docklog
39. 1O4P_water.mol2
40. 1O4P-voxthresh-10.pdb
41. 1O4P-voxthresh-0.pdb
42. BindingDB_50113766.frags.mol2
43. 1O4P_sdf-log.txt
44. 1O4P_congener.mol2
45. BindingDB_14676.docklog.results_tab.log
46. 1O4P-results.mol2
47. 1O4P.csv
48. frag1.mol2
49. BindingDB_14676.docklog.mol2
50. 1O4P-voxthresh-3.pdb