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

1. BindingDB_50013703.docklog.mol2
2. BindingDB_50192459.frags.mol2
3. BindingDB_50013703.docklog.results_tab.log
4. 3HSC-voxthresh-6.pdb
5. prot-log.txt
6. BindingDB_32378.frags.mol2
7. BindingDB_31995.frags.mol2
8. BindingDB_31995.docklog
9. BindingDB_32378.docklog.mol2
10. 3HSC-results_BindingDB_50013703.mol2
11. 3HSC-voxthresh-9.pdb
12. 3HSC-voxthresh-10.pdb
13. BindingDB_32378.mol2
14. 3HSC-voxthresh-8.pdb
15. 3HSC.mol2
16. 3HSC.csv
17. 3HSC_congener.mol2
18. 3HSC-voxthresh-2.pdb
19. 3HSC-results_tab.log
20. BindingDB_50013703.mol2
21. 3HSC-voxthresh-4.pdb
22. log-results.mol2
23. 3HSC-voxthresh-3.pdb
24. 3HSC-results_BindingDB_32378.mol2
25. 3HSC.opt-protein-trim.mol2
26. BindingDB_50192459.mol2
27. 3HSC-voxthresh-5.pdb
28. 3HSC.pdb
29. BindingDB_50192459.docklog.mol2
30. 3HSC_ligand1.mol2
31. BindingDB_50013703.docklog
32. log-results_tab.log
33. 3HSC_sdf.mol2
34. protein_sampling.mol2
35. BindingDB_31995.mol2
36. 3HSC-marked-protein.pdb
37. BindingDB_50192459.docklog.results_tab.log
38. bdb_3HSC_ADP_3D.sdf
39. log
40. ligand_sampling.mol2
41. BindingDB_50192459.docklog
42. 3HSC.Targets
43. 3HSC_sdf-log.txt
44. BindingDB_32378.docklog
45. 3HSC_water.mol2
46. scale
47. frag2.mol2
48. BindingDB_50013703.frags.mol2
49. prot.mol2
50. 3HSC-marked-vox.pdb
51. 3HSC-results_BindingDB_31995.mol2
52. 3HSC-voxthresh-0.pdb
53. ADP.sdf
54. 3HSC_congener-log.txt
55. 3HSC-results.mol2
56. 3HSC_ligand0.mol2
57. BindingDB_31995.docklog.mol2
58. BindingDB_31995.docklog.results_tab.log
59. 3HSC-voxthresh-1.pdb
60. BindingDB_32378.docklog.results_tab.log
61. 3HSC-protomol.mol2
62. 3HSC-voxthresh-7.pdb
63. bdb_3HSC_ADP_sim.txt
64. frag1.mol2