Full input and output files for computationally docked structures of congeneric ligands similar to BDBM12016=F2B in crystal structure 1G46

1. bdb_1G46_F2B_sim.txt
2. 1G46_ligand0.mol2
3. BindingDB_12020.mol2
4. BindingDB_12015.frags.mol2
5. prot-log.txt
6. 1G46.csv
7. 1G46-voxthresh-5.pdb
8. 1G46-voxthresh-7.pdb
9. BindingDB_12018.frags.mol2
10. BindingDB_12015.docklog
11. 1G46-voxthresh-1.pdb
12. 1G46-results_BindingDB_12016.mol2
13. 1G46-marked-protein.pdb
14. 1G46-voxthresh-4.pdb
15. BindingDB_12014.mol2
16. 1G46_sdf.mol2
17. 1G46_water.mol2
18. 1G46-voxthresh-3.pdb
19. BindingDB_12018.docklog.mol2
20. 1G46-protomol.mol2
21. BindingDB_12013.docklog.results_tab.log
22. BindingDB_12016.docklog.mol2
23. 1G46-results_BindingDB_12022.mol2
24. BindingDB_12017.docklog.mol2
25. BindingDB_12017.docklog
26. 1G46-results_BindingDB_12020.mol2
27. BindingDB_12018.mol2
28. 1G46.mol2
29. 1G46.pdb
30. 1G46-results_BindingDB_12017.mol2
31. 1G46-voxthresh-2.pdb
32. 1G46-voxthresh-8.pdb
33. 1G46_congener-log.txt
34. BindingDB_12014.docklog.mol2
35. BindingDB_12019.docklog
36. log-results.mol2
37. 1G46-voxthresh-10.pdb
38. BindingDB_12019.docklog.results_tab.log
39. BindingDB_12016.docklog
40. BindingDB_12023.mol2
41. BindingDB_12021.docklog.results_tab.log
42. 1G46.opt-protein-trim.mol2
43. BindingDB_12014.docklog
44. BindingDB_12019.docklog.mol2
45. BindingDB_12020.docklog.results_tab.log
46. bdb_1G46_F2B_3D.sdf
47. BindingDB_12023.frags.mol2
48. log-results_tab.log
49. BindingDB_12021.docklog.mol2
50. BindingDB_12020.frags.mol2
51. 1G46-voxthresh-0.pdb
52. BindingDB_12018.docklog.results_tab.log
53. 1G46-results_BindingDB_12013.mol2
54. protein_sampling.mol2
55. 1G46.Targets
56. BindingDB_12013.docklog.mol2
57. BindingDB_12018.docklog
58. 1G46_congener.mol2
59. 1G46-results_BindingDB_12014.mol2
60. 1G46-results_BindingDB_12018.mol2
61. log
62. ligand_sampling.mol2
63. BindingDB_12019.frags.mol2
64. BindingDB_12022.docklog.mol2
65. BindingDB_12015.mol2
66. 1G46-voxthresh-9.pdb
67. BindingDB_12021.docklog
68. BindingDB_12017.docklog.results_tab.log
69. BindingDB_12019.mol2
70. 1G46-results_BindingDB_12015.mol2
71. BindingDB_12021.mol2
72. BindingDB_12022.docklog.results_tab.log
73. BindingDB_12016.mol2
74. BindingDB_12014.frags.mol2
75. 1G46-results_BindingDB_12019.mol2
76. scale
77. BindingDB_12013.docklog
78. BindingDB_12016.docklog.results_tab.log
79. frag2.mol2
80. BindingDB_12020.docklog.mol2
81. BindingDB_12021.frags.mol2
82. prot.mol2
83. F2B.sdf
84. BindingDB_12014.docklog.results_tab.log
85. BindingDB_12013.frags.mol2
86. 1G46-marked-vox.pdb
87. BindingDB_12023.docklog
88. BindingDB_12017.frags.mol2
89. 1G46-results.mol2
90. 1G46_sdf-log.txt
91. BindingDB_12022.mol2
92. 1G46-voxthresh-6.pdb
93. BindingDB_12013.mol2
94. BindingDB_12023.docklog.mol2
95. BindingDB_12022.frags.mol2
96. BindingDB_12017.mol2
97. BindingDB_12016.frags.mol2
98. 1G46-results_tab.log
99. BindingDB_12022.docklog
100. BindingDB_12015.docklog.mol2
101. BindingDB_12023.docklog.results_tab.log
102. BindingDB_12020.docklog
103. frag1.mol2
104. BindingDB_12015.docklog.results_tab.log
105. 1G46-results_BindingDB_12021.mol2