Full input and output files for computationally docked structures of congeneric ligands similar to BDBM26992=SO4 in crystal structure 4E3G

1. BindingDB_26992.docklog
2. prot-log.txt
3. 4E3G-voxthresh-9.pdb
4. 4E3G-voxthresh-5.pdb
5. 4E3G_ligand1.mol2
6. 4E3G_water.mol2
7. 4E3G-marked-protein.pdb
8. 4E3G_congener.mol2
9. BindingDB_26991.docklog.mol2
10. BindingDB_50339817.frags.mol2
11. BindingDB_50333756.mol2
12. 4E3G.Targets
13. 4E3G-results.mol2
14. 4E3G-voxthresh-8.pdb
15. BindingDB_50339817.docklog.results_tab.log
16. 4E3G_sdf-log.txt
17. 4E3G_congener-log.txt
18. 4E3G-voxthresh-2.pdb
19. bdb_4E3G_SO4_3D.sdf
20. 4E3G-protomol.mol2
21. BindingDB_50339817.docklog.mol2
22. log-results.mol2
23. 4E3G-marked-vox.pdb
24. 4E3G_ligand2.mol2
25. 4E3G_sdf.mol2
26. 4E3G_ligand3.mol2
27. BindingDB_50339817.docklog
28. BindingDB_50333756.frags.mol2
29. log-results_tab.log
30. 4E3G-voxthresh-7.pdb
31. 4E3G.csv
32. protein_sampling.mol2
33. 4E3G.mol2
34. 4E3G.opt-protein-trim.mol2
35. 4E3G-results_tab.log
36. 4E3G_ligand0.mol2
37. log
38. BindingDB_50333756.docklog
39. BindingDB_50333756.docklog.mol2
40. BindingDB_26992.docklog.results_tab.log
41. 4E3G-voxthresh-3.pdb
42. BindingDB_50339817.mol2
43. BindingDB_26992.mol2
44. 4E3G-voxthresh-1.pdb
45. 4E3G-voxthresh-4.pdb
46. BindingDB_26991.docklog
47. BindingDB_26991.frags.mol2
48. scale
49. frag2.mol2
50. BindingDB_26992.docklog.mol2
51. bdb_4E3G_SO4_sim.txt
52. BindingDB_26992.frags.mol2
53. prot.mol2
54. BindingDB_26991.docklog.results_tab.log
55. 4E3G.pdb
56. 4E3G-results_BindingDB_26992.mol2
57. 4E3G-voxthresh-0.pdb
58. BindingDB_26991.mol2
59. 4E3G-voxthresh-6.pdb
60. SO4.sdf
61. BindingDB_50333756.docklog.results_tab.log
62. 4E3G-voxthresh-10.pdb
63. frag1.mol2