Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13426=PO1 in crystal structure 2GD8

1. 2GD8_ligand2.mol2
2. 2GD8-results.mol2
3. BindingDB_13427.frags.mol2
4. BindingDB_13424.mol2
5. bdb_2GD8_PO1_sim.txt
6. BindingDB_50159804.docklog.results_tab.log
7. 2GD8.pdb
8. prot-log.txt
9. BindingDB_50200941.mol2
10. BindingDB_50200940.docklog.mol2
11. BindingDB_50159804.docklog.mol2
12. 2GD8.csv
13. 2GD8-voxthresh-7.pdb
14. 2GD8-voxthresh-9.pdb
15. BindingDB_13427.mol2
16. BindingDB_13427.docklog
17. BindingDB_13424.frags.mol2
18. BindingDB_50200936.frags.mol2
19. 2GD8-voxthresh-8.pdb
20. BindingDB_50171450.frags.mol2
21. 2GD8-results_tab.log
22. BindingDB_13425.docklog.mol2
23. 2GD8-results_BindingDB_13427.mol2
24. 2GD8-results_BindingDB_13428.mol2
25. BindingDB_13428.docklog
26. BindingDB_13426.docklog.results_tab.log
27. BindingDB_13425.frags.mol2
28. BindingDB_50200936.docklog.results_tab.log
29. 2GD8_congener.mol2
30. BindingDB_13427.docklog.results_tab.log
31. BindingDB_50200940.mol2
32. 2GD8-voxthresh-5.pdb
33. BindingDB_50200940.docklog
34. log-results.mol2
35. BindingDB_50134329.frags.mol2
36. BindingDB_13428.mol2
37. BindingDB_50171450.mol2
38. BindingDB_50171450.docklog.mol2
39. BindingDB_13426.docklog
40. 2GD8-voxthresh-2.pdb
41. BindingDB_13426.frags.mol2
42. BindingDB_50200936.docklog.mol2
43. 2GD8_congener-log.txt
44. 2GD8-results_BindingDB_50134329.mol2
45. BindingDB_50200941.docklog
46. BindingDB_13426.docklog.mol2
47. 2GD8.opt-protein-trim.mol2
48. BindingDB_13425.docklog
49. BindingDB_50171450.docklog.results_tab.log
50. log-results_tab.log
51. 2GD8.mol2
52. BindingDB_50200941.docklog.mol2
53. protein_sampling.mol2
54. 2GD8-protomol.mol2
55. 2GD8-results_BindingDB_50171450.mol2
56. BindingDB_13428.docklog.mol2
57. BindingDB_50134329.docklog
58. BindingDB_50200938.mol2
59. bdb_2GD8_PO1_3D.sdf
60. BindingDB_13428.frags.mol2
61. 2GD8_water.mol2
62. log
63. BindingDB_13425.docklog.results_tab.log
64. BindingDB_50200941.frags.mol2
65. BindingDB_50200938.frags.mol2
66. BindingDB_13427.docklog.mol2
67. ligand_sampling.mol2
68. 2GD8_sdf.mol2
69. BindingDB_13425.mol2
70. 2GD8-results_BindingDB_13424.mol2
71. 2GD8-marked-protein.pdb
72. BindingDB_50159804.mol2
73. BindingDB_50200940.frags.mol2
74. 2GD8-voxthresh-0.pdb
75. scale
76. BindingDB_50134329.mol2
77. frag2.mol2
78. prot.mol2
79. 2GD8-voxthresh-3.pdb
80. 2GD8-voxthresh-6.pdb
81. BindingDB_50200936.docklog
82. BindingDB_50200940.docklog.results_tab.log
83. BindingDB_50134329.docklog.results_tab.log
84. 2GD8_ligand0.mol2
85. 2GD8-results_BindingDB_13426.mol2
86. 2GD8-marked-vox.pdb
87. 2GD8_ligand1.mol2
88. 2GD8-voxthresh-1.pdb
89. BindingDB_50200938.docklog.mol2
90. 2GD8-voxthresh-4.pdb
91. BindingDB_50134329.docklog.mol2
92. BindingDB_13424.docklog.results_tab.log
93. BindingDB_50200936.mol2
94. 2GD8-results_BindingDB_50200936.mol2
95. PO1.sdf
96. BindingDB_13426.mol2
97. BindingDB_50159804.frags.mol2
98. BindingDB_13424.docklog
99. BindingDB_50159804.docklog
100. 2GD8_sdf-log.txt
101. BindingDB_50200941.docklog.results_tab.log
102. 2GD8-voxthresh-10.pdb
103. 2GD8-results_BindingDB_13425.mol2
104. BindingDB_13428.docklog.results_tab.log
105. BindingDB_50171450.docklog
106. 2GD8.Targets
107. frag1.mol2
108. BindingDB_50200938.docklog.results_tab.log
109. BindingDB_13424.docklog.mol2
110. BindingDB_50200938.docklog