Full input and output files for computationally docked structures of congeneric ligands similar to BDBM22579=AMZ in crystal structure 1P4R

1. 1P4R-results_BindingDB_22579.mol2
2. prot-log.txt
3. bdb_1P4R_AMZ_3D.sdf
4. BindingDB_22579.docklog.results_tab.log
5. 1P4R.pdb
6. 1P4R-voxthresh-7.pdb
7. BindingDB_22588.docklog
8. 1P4R-voxthresh-0.pdb
9. 1P4R-voxthresh-9.pdb
10. 1P4R_ligand2.mol2
11. 1P4R-protomol.mol2
12. 1P4R-marked-vox.pdb
13. 1P4R.mol2
14. BindingDB_22579.docklog.mol2
15. log-results.mol2
16. 1P4R_ligand3.mol2
17. 1P4R-results_tab.log
18. 1P4R_sdf-log.txt
19. 1P4R-voxthresh-1.pdb
20. BindingDB_22587.docklog.results_tab.log
21. BindingDB_22579.frags.mol2
22. BindingDB_22579.docklog
23. 1P4R.csv
24. BindingDB_22587.docklog
25. 1P4R_ligand1.mol2
26. log-results_tab.log
27. BindingDB_22588.mol2
28. AMZ.sdf
29. protein_sampling.mol2
30. 1P4R.Targets
31. 1P4R_ligand0.mol2
32. log
33. 1P4R-voxthresh-2.pdb
34. ligand_sampling.mol2
35. BindingDB_22588.docklog.results_tab.log
36. 1P4R-voxthresh-5.pdb
37. 1P4R_ligand4.mol2
38. 1P4R-results.mol2
39. scale
40. 1P4R_congener-log.txt
41. frag2.mol2
42. 1P4R-voxthresh-8.pdb
43. bdb_1P4R_AMZ_sim.txt
44. prot.mol2
45. BindingDB_22587.frags.mol2
46. 1P4R-voxthresh-3.pdb
47. BindingDB_22588.docklog.mol2
48. BindingDB_22588.frags.mol2
49. 1P4R-voxthresh-6.pdb
50. BindingDB_22587.mol2
51. 1P4R_congener.mol2
52. 1P4R-voxthresh-10.pdb
53. BindingDB_22587.docklog.mol2
54. 1P4R-voxthresh-4.pdb
55. BindingDB_22579.mol2
56. 1P4R-marked-protein.pdb
57. 1P4R.opt-protein-trim.mol2
58. frag1.mol2
59. 1P4R_water.mol2
60. 1P4R_sdf.mol2