Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50077537=HNT in crystal structure 2G70

1. 2G70_congener.mol2
2. BindingDB_50174130.frags.mol2
3. 2G70_congener-log.txt
4. 2G70_sdf.mol2
5. BindingDB_50077537.frags.mol2
6. BindingDB_50199511.frags.mol2
7. BindingDB_50077543.docklog
8. BindingDB_50077538.mol2
9. BindingDB_50160906.docklog
10. prot-log.txt
11. 2G70-results_BindingDB_50174119.mol2
12. 2G70-voxthresh-9.pdb
13. 2G70-results_BindingDB_50080523.mol2
14. BindingDB_50077543.docklog.results_tab.log
15. BindingDB_50174115.docklog.results_tab.log
16. 2G70-results.mol2
17. BindingDB_50160904.docklog
18. 2G70-voxthresh-4.pdb
19. BindingDB_50160906.docklog.results_tab.log
20. BindingDB_50199511.docklog.results_tab.log
21. BindingDB_50174119.docklog.results_tab.log
22. BindingDB_50174130.docklog.results_tab.log
23. BindingDB_50160905.mol2
24. 2G70-results_BindingDB_50160905.mol2
25. BindingDB_50080523.docklog
26. 2G70-marked-protein.pdb
27. BindingDB_50174119.docklog
28. BindingDB_50160904.frags.mol2
29. 2G70_ligand1.mol2
30. 2G70-results_BindingDB_50160904.mol2
31. BindingDB_50199511.docklog.mol2
32. BindingDB_50160904.docklog.results_tab.log
33. BindingDB_50080523.mol2
34. BindingDB_50080523.docklog.mol2
35. BindingDB_50174130.mol2
36. BindingDB_50160905.docklog.results_tab.log
37. BindingDB_50160906.frags.mol2
38. bdb_2G70_HNT_sim.txt
39. 2G70.Targets
40. BindingDB_50160906.mol2
41. BindingDB_50160904.docklog.mol2
42. BindingDB_50077538.docklog
43. BindingDB_50077537.docklog.mol2
44. log-results.mol2
45. BindingDB_50160906.docklog.mol2
46. BindingDB_50077538.docklog.mol2
47. BindingDB_50077544.docklog.mol2
48. BindingDB_50174119.docklog.mol2
49. BindingDB_50077537.mol2
50. 2G70_ligand2.mol2
51. 2G70-voxthresh-3.pdb
52. log-results_tab.log
53. BindingDB_50174119.mol2
54. 2G70-voxthresh-1.pdb
55. protein_sampling.mol2
56. HNT.sdf
57. 2G70-voxthresh-0.pdb
58. BindingDB_50080523.frags.mol2
59. 2G70-results_tab.log
60. BindingDB_50077543.docklog.mol2
61. BindingDB_50077538.frags.mol2
62. 2G70.pdb
63. BindingDB_50077537.docklog.results_tab.log
64. log
65. 2G70.opt-protein-trim.mol2
66. ligand_sampling.mol2
67. BindingDB_50077544.mol2
68. BindingDB_50174130.docklog
69. BindingDB_50077538.docklog.results_tab.log
70. BindingDB_50174115.docklog.mol2
71. BindingDB_50160905.docklog.mol2
72. BindingDB_50174115.mol2
73. 2G70-voxthresh-8.pdb
74. 2G70.mol2
75. 2G70-results_BindingDB_50077538.mol2
76. BindingDB_50077543.mol2
77. scale
78. frag2.mol2
79. 2G70-results_BindingDB_50077537.mol2
80. 2G70-results_BindingDB_50077543.mol2
81. prot.mol2
82. 2G70-marked-vox.pdb
83. 2G70.csv
84. 2G70-results_BindingDB_50160906.mol2
85. 2G70-voxthresh-6.pdb
86. 2G70-voxthresh-7.pdb
87. 2G70_sdf-log.txt
88. BindingDB_50199511.mol2
89. BindingDB_50077543.frags.mol2
90. UnDockable.list
91. BindingDB_50080523.docklog.results_tab.log
92. BindingDB_50174130.docklog.mol2
93. 2G70_water.mol2
94. BindingDB_50174119.frags.mol2
95. BindingDB_50199511.docklog
96. BindingDB_50077537.docklog
97. BindingDB_50160905.frags.mol2
98. 2G70-voxthresh-5.pdb
99. BindingDB_50160905.docklog
100. BindingDB_50160904.mol2
101. BindingDB_50077544.frags.mol2
102. BindingDB_50077544.docklog.results_tab.log
103. BindingDB_50174115.docklog
104. bdb_2G70_HNT_3D.sdf
105. 2G70-protomol.mol2
106. BindingDB_50077544.docklog
107. 2G70_ligand0.mol2
108. 2G70-voxthresh-2.pdb
109. 2G70-results_BindingDB_50174115.mol2
110. BindingDB_50174115.frags.mol2
111. frag1.mol2
112. 2G70-results_BindingDB_50077544.mol2