Full input and output files for computationally docked structures of congeneric ligands similar to BDBM34063=ZAT in crystal structure 2W0J

1. prot-log.txt
2. BindingDB_34063.frags.mol2
3. BindingDB_34063.mol2
4. 2W0J-results_BindingDB_34067.mol2
5. BindingDB_34067.docklog.mol2
6. 2W0J-voxthresh-9.pdb
7. BindingDB_34067.frags.mol2
8. BindingDB_34067.docklog
9. BindingDB_34063.docklog.mol2
10. 2W0J.Targets
11. 2W0J.pdb
12. BindingDB_34069.mol2
13. BindingDB_34065.frags.mol2
14. 2W0J-voxthresh-8.pdb
15. BindingDB_34065.docklog.mol2
16. log-results.mol2
17. BindingDB_34069.frags.mol2
18. 2W0J.csv
19. BindingDB_34063.docklog
20. ZAT.sdf
21. 2W0J-marked-protein.pdb
22. BindingDB_34070.frags.mol2
23. 2W0J-results.mol2
24. 2W0J-protomol.mol2
25. BindingDB_34067.docklog.results_tab.log
26. bdb_2W0J_ZAT_sim.txt
27. log-results_tab.log
28. BindingDB_34070.docklog
29. BindingDB_34066.docklog.results_tab.log
30. BindingDB_34067.mol2
31. 2W0J-voxthresh-5.pdb
32. protein_sampling.mol2
33. 2W0J_sdf-log.txt
34. BindingDB_34070.docklog.results_tab.log
35. bdb_2W0J_ZAT_3D.sdf
36. 2W0J-voxthresh-4.pdb
37. 2W0J-voxthresh-2.pdb
38. log
39. BindingDB_34065.mol2
40. 2W0J_ligand1.mol2
41. 2W0J-results_BindingDB_34063.mol2
42. 2W0J_water.mol2
43. 2W0J-results_BindingDB_34069.mol2
44. 2W0J-voxthresh-3.pdb
45. 2W0J-results_tab.log
46. 2W0J-marked-vox.pdb
47. BindingDB_34066.docklog
48. 2W0J_sdf.mol2
49. 2W0J-voxthresh-7.pdb
50. BindingDB_34066.mol2
51. 2W0J.opt-protein-trim.mol2
52. 2W0J_congener-log.txt
53. 2W0J-voxthresh-1.pdb
54. scale
55. 2W0J_congener.mol2
56. frag2.mol2
57. prot.mol2
58. 2W0J_ligand0.mol2
59. BindingDB_34069.docklog
60. BindingDB_34069.docklog.results_tab.log
61. BindingDB_34070.mol2
62. 2W0J-results_BindingDB_34066.mol2
63. BindingDB_34063.docklog.results_tab.log
64. BindingDB_34065.docklog
65. BindingDB_34066.frags.mol2
66. 2W0J.mol2
67. 2W0J-results_BindingDB_34065.mol2
68. BindingDB_34069.docklog.mol2
69. BindingDB_34066.docklog.mol2
70. BindingDB_34065.docklog.results_tab.log
71. 2W0J-voxthresh-0.pdb
72. 2W0J-voxthresh-6.pdb
73. frag1.mol2
74. BindingDB_34070.docklog.mol2