Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50192454=ADP in crystal structure 3C7N

1. BindingDB_50013703.docklog.mol2
2. BindingDB_50192459.frags.mol2
3. BindingDB_50013703.docklog.results_tab.log
4. 3C7N_congener.mol2
5. prot-log.txt
6. 3C7N.opt-protein-trim.mol2
7. BindingDB_32378.frags.mol2
8. BindingDB_31995.frags.mol2
9. BindingDB_31995.docklog
10. BindingDB_32378.docklog.mol2
11. 3C7N-voxthresh-1.pdb
12. BindingDB_32378.mol2
13. 3C7N-results_BindingDB_50013703.mol2
14. 3C7N-voxthresh-2.pdb
15. 3C7N_ligand2.mol2
16. BindingDB_50013703.mol2
17. log-results.mol2
18. 3C7N_ligand3.mol2
19. BindingDB_50192459.mol2
20. 3C7N.pdb
21. BindingDB_50192459.docklog.mol2
22. 3C7N-voxthresh-4.pdb
23. 3C7N-marked-protein.pdb
24. 3C7N_ligand6.mol2
25. BindingDB_50013703.docklog
26. 3C7N-protomol.mol2
27. 3C7N.Targets
28. log-results_tab.log
29. 3C7N_sdf.mol2
30. 3C7N-marked-vox.pdb
31. 3C7N-results_tab.log
32. 3C7N-results_BindingDB_31995.mol2
33. protein_sampling.mol2
34. 3C7N_congener-log.txt
35. BindingDB_31995.mol2
36. 3C7N-voxthresh-8.pdb
37. BindingDB_50192459.docklog.results_tab.log
38. 3C7N-voxthresh-9.pdb
39. 3C7N-voxthresh-3.pdb
40. log
41. ligand_sampling.mol2
42. BindingDB_50192459.docklog
43. bdb_3C7N_ADP_sim.txt
44. 3C7N-voxthresh-6.pdb
45. 3C7N-voxthresh-7.pdb
46. 3C7N_sdf-log.txt
47. BindingDB_32378.docklog
48. scale
49. 3C7N_ligand5.mol2
50. 3C7N-voxthresh-10.pdb
51. frag2.mol2
52. BindingDB_50013703.frags.mol2
53. prot.mol2
54. 3C7N.mol2
55. 3C7N-results_BindingDB_32378.mol2
56. ADP.sdf
57. 3C7N_ligand0.mol2
58. 3C7N-results.mol2
59. BindingDB_31995.docklog.mol2
60. BindingDB_31995.docklog.results_tab.log
61. 3C7N_ligand1.mol2
62. bdb_3C7N_ADP_3D.sdf
63. BindingDB_32378.docklog.results_tab.log
64. 3C7N-voxthresh-5.pdb
65. 3C7N_ligand4.mol2
66. frag1.mol2
67. 3C7N.csv
68. 3C7N-voxthresh-0.pdb