Full input and output files for computationally docked structures of congeneric ligands similar to BDBM12018=IOA in crystal structure 1I9N

1. 1I9N-results_BindingDB_12019.mol2
2. BindingDB_12020.mol2
3. BindingDB_12015.frags.mol2
4. IOA.sdf
5. 1I9N-results_BindingDB_12017.mol2
6. prot-log.txt
7. 1I9N-voxthresh-6.pdb
8. BindingDB_12018.frags.mol2
9. BindingDB_12015.docklog
10. 1I9N.Targets
11. BindingDB_12014.mol2
12. 1I9N_ligand0.mol2
13. 1I9N_water.mol2
14. 1I9N-voxthresh-2.pdb
15. BindingDB_12018.docklog.mol2
16. BindingDB_12013.docklog.results_tab.log
17. BindingDB_12016.docklog.mol2
18. 1I9N-marked-vox.pdb
19. BindingDB_12017.docklog.mol2
20. BindingDB_12017.docklog
21. 1I9N-voxthresh-7.pdb
22. BindingDB_12018.mol2
23. 1I9N.csv
24. BindingDB_12014.docklog.mol2
25. BindingDB_12019.docklog
26. log-results.mol2
27. 1I9N-voxthresh-8.pdb
28. BindingDB_12019.docklog.results_tab.log
29. 1I9N-marked-protein.pdb
30. BindingDB_12016.docklog
31. 1I9N.pdb
32. BindingDB_12023.mol2
33. bdb_1I9N_IOA_3D.sdf
34. 1I9N-results_BindingDB_12013.mol2
35. BindingDB_12021.docklog.results_tab.log
36. BindingDB_12014.docklog
37. BindingDB_12019.docklog.mol2
38. BindingDB_12020.docklog.results_tab.log
39. BindingDB_12023.frags.mol2
40. log-results_tab.log
41. BindingDB_12021.docklog.mol2
42. BindingDB_12020.frags.mol2
43. BindingDB_12018.docklog.results_tab.log
44. protein_sampling.mol2
45. 1I9N-results_BindingDB_12015.mol2
46. BindingDB_12013.docklog.mol2
47. BindingDB_12018.docklog
48. 1I9N-results.mol2
49. 1I9N-protomol.mol2
50. log
51. 1I9N-results_BindingDB_12014.mol2
52. ligand_sampling.mol2
53. BindingDB_12019.frags.mol2
54. BindingDB_12022.docklog.mol2
55. 1I9N-results_BindingDB_12022.mol2
56. 1I9N-results_BindingDB_12018.mol2
57. BindingDB_12015.mol2
58. 1I9N.opt-protein-trim.mol2
59. 1I9N-results_BindingDB_12020.mol2
60. BindingDB_12021.docklog
61. 1I9N-voxthresh-3.pdb
62. BindingDB_12017.docklog.results_tab.log
63. 1I9N-results_tab.log
64. BindingDB_12019.mol2
65. BindingDB_12021.mol2
66. BindingDB_12022.docklog.results_tab.log
67. 1I9N_sdf.mol2
68. BindingDB_12016.mol2
69. 1I9N-results_BindingDB_12021.mol2
70. BindingDB_12014.frags.mol2
71. 1I9N-voxthresh-0.pdb
72. scale
73. BindingDB_12013.docklog
74. BindingDB_12016.docklog.results_tab.log
75. frag2.mol2
76. BindingDB_12020.docklog.mol2
77. BindingDB_12021.frags.mol2
78. prot.mol2
79. BindingDB_12014.docklog.results_tab.log
80. 1I9N-voxthresh-1.pdb
81. 1I9N-voxthresh-4.pdb
82. BindingDB_12013.frags.mol2
83. 1I9N_congener-log.txt
84. 1I9N-results_BindingDB_12016.mol2
85. BindingDB_12023.docklog
86. BindingDB_12017.frags.mol2
87. 1I9N-voxthresh-5.pdb
88. BindingDB_12022.mol2
89. BindingDB_12013.mol2
90. 1I9N_sdf-log.txt
91. 1I9N_congener.mol2
92. BindingDB_12023.docklog.mol2
93. BindingDB_12022.frags.mol2
94. BindingDB_12017.mol2
95. BindingDB_12016.frags.mol2
96. bdb_1I9N_IOA_sim.txt
97. BindingDB_12022.docklog
98. BindingDB_12015.docklog.mol2
99. 1I9N.mol2
100. 1I9N-voxthresh-9.pdb
101. BindingDB_12023.docklog.results_tab.log
102. BindingDB_12020.docklog
103. frag1.mol2
104. BindingDB_12015.docklog.results_tab.log