Full input and output files for computationally docked structures of congeneric ligands similar to BDBM10884=ETS in crystal structure 3FW3

1. 3FW3-results_BindingDB_50303033.mol2
2. BindingDB_11390.docklog
3. 3FW3-marked-vox.pdb
4. 3FW3-voxthresh-3.pdb
5. prot-log.txt
6. BindingDB_11425.docklog.results_tab.log
7. 3FW3_sdf-log.txt
8. BindingDB_50303033.docklog
9. BindingDB_50303032.docklog.results_tab.log
10. 3FW3-marked-protein.pdb
11. 3FW3.opt-protein-trim.mol2
12. BindingDB_11413.frags.mol2
13. 3FW3-voxthresh-9.pdb
14. 3FW3-voxthresh-4.pdb
15. BindingDB_11423.frags.mol2
16. BindingDB_13054.docklog.results_tab.log
17. BindingDB_50303031.docklog.mol2
18. BindingDB_11422.docklog
19. BindingDB_13054.docklog.mol2
20. BindingDB_50303033.docklog.results_tab.log
21. BindingDB_11413.docklog
22. 3FW3-protomol.mol2
23. BindingDB_11419.docklog
24. bdb_3FW3_ETS_3D.sdf
25. BindingDB_50303031.mol2
26. BindingDB_11413.docklog.mol2
27. BindingDB_50303031.frags.mol2
28. 3FW3-voxthresh-10.pdb
29. BindingDB_11419.mol2
30. BindingDB_50303030.frags.mol2
31. BindingDB_50303032.mol2
32. log-results.mol2
33. 3FW3.Targets
34. BindingDB_11423.docklog
35. 3FW3_ligand2.mol2
36. BindingDB_11423.mol2
37. BindingDB_11390.docklog.results_tab.log
38. BindingDB_10884.docklog
39. BindingDB_50303032.docklog
40. BindingDB_10884.docklog.mol2
41. BindingDB_11390.mol2
42. 3FW3_congener.mol2
43. 3FW3-results_tab.log
44. BindingDB_11425.frags.mol2
45. BindingDB_11413.docklog.results_tab.log
46. BindingDB_11425.docklog.mol2
47. BindingDB_11425.docklog
48. 3FW3-voxthresh-1.pdb
49. 3FW3_sdf.mol2
50. 3FW3_ligand1.mol2
51. log-results_tab.log
52. BindingDB_50303031.docklog
53. 3FW3-results_BindingDB_10884.mol2
54. BindingDB_11413.mol2
55. BindingDB_50303030.docklog.mol2
56. 3FW3-results_BindingDB_50303030.mol2
57. BindingDB_50303030.docklog.results_tab.log
58. 3FW3-voxthresh-6.pdb
59. BindingDB_50303033.mol2
60. BindingDB_11419.docklog.mol2
61. BindingDB_10885.frags.mol2
62. 3FW3.pdb
63. BindingDB_11422.mol2
64. protein_sampling.mol2
65. BindingDB_50303034.frags.mol2
66. 3FW3-voxthresh-5.pdb
67. BindingDB_11391.frags.mol2
68. 3FW3_ligand0.mol2
69. BindingDB_10884.docklog.results_tab.log
70. BindingDB_11425.mol2
71. BindingDB_13054.docklog
72. BindingDB_50303034.mol2
73. log
74. BindingDB_50303030.mol2
75. 3FW3.mol2
76. ligand_sampling.mol2
77. bdb_3FW3_ETS_sim.txt
78. BindingDB_11419.docklog.results_tab.log
79. BindingDB_11390.frags.mol2
80. BindingDB_50303032.docklog.mol2
81. ETS.sdf
82. 3FW3_congener-log.txt
83. BindingDB_11422.frags.mol2
84. 3FW3-results_BindingDB_50303032.mol2
85. BindingDB_11423.docklog.results_tab.log
86. scale
87. BindingDB_50303031.docklog.results_tab.log
88. frag2.mol2
89. 3FW3.csv
90. 3FW3-results_BindingDB_10885.mol2
91. prot.mol2
92. BindingDB_11391.mol2
93. BindingDB_50303034.docklog.mol2
94. BindingDB_10885.docklog
95. BindingDB_10885.docklog.mol2
96. BindingDB_11391.docklog
97. BindingDB_50303032.frags.mol2
98. BindingDB_11391.docklog.results_tab.log
99. BindingDB_11422.docklog.mol2
100. BindingDB_10884.mol2
101. BindingDB_50303033.frags.mol2
102. BindingDB_13054.mol2
103. BindingDB_11391.docklog.mol2
104. BindingDB_11419.frags.mol2
105. 3FW3-voxthresh-7.pdb
106. BindingDB_10885.mol2
107. BindingDB_11423.docklog.mol2
108. BindingDB_50303034.docklog.results_tab.log
109. BindingDB_10884.frags.mol2
110. BindingDB_13054.frags.mol2
111. BindingDB_50303034.docklog
112. BindingDB_11422.docklog.results_tab.log
113. 3FW3-results_BindingDB_50303031.mol2
114. BindingDB_10885.docklog.results_tab.log
115. BindingDB_50303033.docklog.mol2
116. 3FW3_water.mol2
117. BindingDB_50303030.docklog
118. 3FW3-results_BindingDB_13054.mol2
119. frag1.mol2
120. 3FW3-voxthresh-2.pdb
121. BindingDB_11390.docklog.mol2
122. 3FW3-voxthresh-8.pdb
123. 3FW3-voxthresh-0.pdb
124. 3FW3-results.mol2