Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50335492=SYC in crystal structure 3ANL

1. 3ANL_ligand1.mol2
2. 3ANL_ligand0.mol2
3. bdb_3ANL_SYC_3D.sdf
4. BindingDB_50335493.frags.mol2
5. prot-log.txt
6. 3ANL-voxthresh-2.pdb
7. BindingDB_50335494.docklog
8. BindingDB_50335492.docklog.results_tab.log
9. 3ANL-voxthresh-4.pdb
10. 3ANL.opt-protein-trim.mol2
11. BindingDB_50335493.docklog
12. 3ANL_ligand3.mol2
13. 3ANL-results.mol2
14. BindingDB_50335494.mol2
15. 3ANL-marked-vox.pdb
16. log-results.mol2
17. 3ANL-voxthresh-5.pdb
18. 3ANL.pdb
19. 3ANL-protomol.mol2
20. BindingDB_50335493.docklog.mol2
21. 3ANL-voxthresh-6.pdb
22. BindingDB_50335494.docklog.results_tab.log
23. 3ANL.mol2
24. 3ANL_sdf-log.txt
25. SYC.sdf
26. log-results_tab.log
27. 3ANL-results_BindingDB_50335492.mol2
28. 3ANL-voxthresh-9.pdb
29. 3ANL-voxthresh-8.pdb
30. 3ANL_congener.mol2
31. 3ANL_sdf.mol2
32. protein_sampling.mol2
33. BindingDB_50335493.mol2
34. log
35. 3ANL-voxthresh-3.pdb
36. BindingDB_50335492.frags.mol2
37. 3ANL_congener-log.txt
38. 3ANL-marked-protein.pdb
39. 3ANL-results_BindingDB_50335493.mol2
40. scale
41. frag2.mol2
42. 3ANL-voxthresh-1.pdb
43. prot.mol2
44. BindingDB_50335492.docklog
45. 3ANL-voxthresh-7.pdb
46. 3ANL_water.mol2
47. BindingDB_50335494.docklog.mol2
48. BindingDB_50335493.docklog.results_tab.log
49. 3ANL.csv
50. 3ANL-results_tab.log
51. BindingDB_50335494.frags.mol2
52. BindingDB_50335492.mol2
53. 3ANL.Targets
54. BindingDB_50335492.docklog.mol2
55. 3ANL_ligand2.mol2
56. frag1.mol2
57. 3ANL-voxthresh-0.pdb
58. bdb_3ANL_SYC_sim.txt