Full input and output files for computationally docked structures of congeneric ligands similar to BDBM15647=566 in crystal structure 2H7I

1. 2H7I-voxthresh-10.pdb
2. 2H7I-voxthresh-3.pdb
3. 2H7I-results_BindingDB_15652.mol2
4. BindingDB_15647.docklog.mol2
5. BindingDB_15663.docklog
6. prot-log.txt
7. BindingDB_15677.mol2
8. BindingDB_15673.mol2
9. BindingDB_15663.docklog.mol2
10. BindingDB_15647.mol2
11. BindingDB_15652.mol2
12. BindingDB_15655.frags.mol2
13. BindingDB_15652.docklog.results_tab.log
14. BindingDB_15663.frags.mol2
15. BindingDB_15656.mol2
16. 2H7I-results_BindingDB_15654.mol2
17. 2H7I-voxthresh-2.pdb
18. 2H7I_sdf.mol2
19. 2H7I.csv
20. 2H7I_water.mol2
21. BindingDB_15673.docklog
22. BindingDB_15652.docklog
23. 2H7I-results_BindingDB_15673.mol2
24. bdb_2H7I_566_sim.txt
25. BindingDB_15653.docklog
26. BindingDB_15651.docklog
27. BindingDB_15656.frags.mol2
28. BindingDB_15657.docklog.mol2
29. BindingDB_15657.docklog.results_tab.log
30. BindingDB_15652.frags.mol2
31. BindingDB_15660.docklog.mol2
32. BindingDB_15650.mol2
33. BindingDB_15671.mol2
34. log-results.mol2
35. BindingDB_15660.mol2
36. BindingDB_15647.docklog.results_tab.log
37. BindingDB_15657.mol2
38. 2H7I_congener-log.txt
39. BindingDB_15676.docklog.results_tab.log
40. BindingDB_15653.docklog.results_tab.log
41. BindingDB_15655.docklog.mol2
42. log-results_tab.log
43. BindingDB_15673.frags.mol2
44. 2H7I-voxthresh-9.pdb
45. BindingDB_15656.docklog
46. BindingDB_15650.frags.mol2
47. 2H7I.opt-protein-trim.mol2
48. 2H7I-voxthresh-8.pdb
49. 2H7I-results_BindingDB_15660.mol2
50. 2H7I_sdf-log.txt
51. protein_sampling.mol2
52. 2H7I.pdb
53. BindingDB_15650.docklog
54. BindingDB_15671.docklog
55. BindingDB_15677.docklog.mol2
56. BindingDB_15656.docklog.results_tab.log
57. 2H7I_congener.mol2
58. 2H7I-voxthresh-7.pdb
59. BindingDB_15655.docklog
60. BindingDB_15651.frags.mol2
61. 2H7I-results_BindingDB_15671.mol2
62. BindingDB_15660.docklog.results_tab.log
63. BindingDB_15652.docklog.mol2
64. BindingDB_15677.frags.mol2
65. log
66. BindingDB_15650.docklog.results_tab.log
67. BindingDB_15647.docklog
68. 2H7I-marked-protein.pdb
69. BindingDB_15653.mol2
70. 2H7I-voxthresh-0.pdb
71. 566.sdf
72. 2H7I-voxthresh-5.pdb
73. BindingDB_15660.frags.mol2
74. 2H7I-voxthresh-4.pdb
75. BindingDB_15654.docklog.results_tab.log
76. BindingDB_15650.docklog.mol2
77. scale
78. BindingDB_15671.frags.mol2
79. BindingDB_15654.frags.mol2
80. frag2.mol2
81. BindingDB_15677.docklog
82. prot.mol2
83. BindingDB_15677.docklog.results_tab.log
84. BindingDB_15653.docklog.mol2
85. 2H7I_ligand0.mol2
86. BindingDB_15676.frags.mol2
87. 2H7I-results_BindingDB_15653.mol2
88. BindingDB_15660.docklog
89. BindingDB_15655.docklog.results_tab.log
90. BindingDB_15663.docklog.results_tab.log
91. 2H7I.Targets
92. BindingDB_15654.mol2
93. BindingDB_15651.docklog.mol2
94. BindingDB_15676.mol2
95. UnDockable.list
96. BindingDB_15651.docklog.results_tab.log
97. BindingDB_15673.docklog.mol2
98. BindingDB_15651.mol2
99. 2H7I-results_BindingDB_15656.mol2
100. 2H7I-voxthresh-6.pdb
101. BindingDB_15647.frags.mol2
102. bdb_2H7I_566_3D.sdf
103. BindingDB_15671.docklog.mol2
104. BindingDB_15663.mol2
105. 2H7I-results_tab.log
106. BindingDB_15676.docklog
107. BindingDB_15653.frags.mol2
108. 2H7I-protomol.mol2
109. BindingDB_15673.docklog.results_tab.log
110. BindingDB_15654.docklog
111. BindingDB_15676.docklog.mol2
112. BindingDB_15656.docklog.mol2
113. 2H7I-results.mol2
114. 2H7I-voxthresh-1.pdb
115. 2H7I.mol2
116. 2H7I_ligand1.mol2
117. 2H7I-marked-vox.pdb
118. frag1.mol2
119. 2H7I-results_BindingDB_15647.mol2
120. BindingDB_15657.docklog
121. BindingDB_15657.frags.mol2
122. BindingDB_15671.docklog.results_tab.log
123. BindingDB_15655.mol2
124. 2H7I-results_BindingDB_15650.mol2
125. BindingDB_15654.docklog.mol2