Full input and output files for computationally docked structures of congeneric ligands similar to BDBM24127=3QC in crystal structure 2FME

1. BindingDB_24135.docklog.mol2
2. 3QC.sdf
3. 2FME-results_BindingDB_24121.mol2
4. 2FME-voxthresh-5.pdb
5. prot-log.txt
6. BindingDB_24126.frags.mol2
7. BindingDB_24143.docklog.results_tab.log
8. BindingDB_24132.docklog
9. BindingDB_24121.mol2
10. BindingDB_24136.docklog
11. 2FME-voxthresh-7.pdb
12. 2FME-voxthresh-6.pdb
13. BindingDB_24123.docklog.results_tab.log
14. BindingDB_24125.docklog
15. BindingDB_24123.docklog
16. bdb_2FME_3QC_3D.sdf
17. BindingDB_24129.mol2
18. BindingDB_24122.docklog.results_tab.log
19. BindingDB_24126.mol2
20. 2FME-results_BindingDB_24129.mol2
21. 2FME.Targets
22. BindingDB_24126.docklog.mol2
23. BindingDB_24129.docklog.mol2
24. 2FME-results_BindingDB_24137.mol2
25. 2FME-results_BindingDB_24126.mol2
26. BindingDB_24132.mol2
27. BindingDB_24143.docklog
28. 2FME-voxthresh-4.pdb
29. BindingDB_24122.docklog
30. BindingDB_24142.docklog.mol2
31. 2FME-voxthresh-10.pdb
32. BindingDB_24123.mol2
33. log-results.mol2
34. BindingDB_24127.docklog
35. BindingDB_24129.frags.mol2
36. 2FME-results_tab.log
37. 2FME_sdf.mol2
38. BindingDB_24128.mol2
39. 2FME_sdf-log.txt
40. 2FME_ligand1.mol2
41. BindingDB_24143.docklog.mol2
42. 2FME-results_BindingDB_24125.mol2
43. 2FME-results.mol2
44. BindingDB_24125.frags.mol2
45. BindingDB_24132.docklog.results_tab.log
46. BindingDB_24136.docklog.mol2
47. BindingDB_24128.docklog.results_tab.log
48. 2FME-results_BindingDB_24142.mol2
49. BindingDB_24122.mol2
50. log-results_tab.log
51. 2FME-protomol.mol2
52. 2FME_water.mol2
53. BindingDB_24127.mol2
54. BindingDB_24125.docklog.results_tab.log
55. BindingDB_24127.docklog.results_tab.log
56. protein_sampling.mol2
57. BindingDB_24135.mol2
58. BindingDB_24136.docklog.results_tab.log
59. BindingDB_24126.docklog.results_tab.log
60. BindingDB_24142.frags.mol2
61. BindingDB_24147.mol2
62. BindingDB_24128.frags.mol2
63. BindingDB_24121.docklog.results_tab.log
64. BindingDB_24129.docklog.results_tab.log
65. 2FME-voxthresh-1.pdb
66. log
67. ligand_sampling.mol2
68. 2FME_congener-log.txt
69. BindingDB_24147.docklog.mol2
70. 2FME-results_BindingDB_24136.mol2
71. BindingDB_24135.docklog
72. BindingDB_24127.frags.mol2
73. BindingDB_24142.docklog
74. BindingDB_24123.docklog.mol2
75. 2FME.csv
76. 2FME_congener.mol2
77. BindingDB_24122.docklog.mol2
78. 2FME-voxthresh-3.pdb
79. BindingDB_24137.docklog
80. BindingDB_24136.mol2
81. BindingDB_24129.docklog
82. 2FME-marked-vox.pdb
83. BindingDB_24132.frags.mol2
84. BindingDB_24125.mol2
85. BindingDB_24147.docklog
86. BindingDB_24122.frags.mol2
87. BindingDB_24137.docklog.results_tab.log
88. scale
89. BindingDB_24126.docklog
90. frag2.mol2
91. 2FME-voxthresh-0.pdb
92. prot.mol2
93. 2FME.pdb
94. BindingDB_24142.mol2
95. 2FME-voxthresh-9.pdb
96. BindingDB_24136.frags.mol2
97. 2FME-marked-protein.pdb
98. 2FME-results_BindingDB_24122.mol2
99. BindingDB_24128.docklog.mol2
100. 2FME-results_BindingDB_24127.mol2
101. 2FME-results_BindingDB_24132.mol2
102. 2FME.mol2
103. 2FME_ligand0.mol2
104. BindingDB_24127.docklog.mol2
105. BindingDB_24147.frags.mol2
106. 2FME-results_BindingDB_24128.mol2
107. BindingDB_24137.frags.mol2
108. BindingDB_24143.frags.mol2
109. BindingDB_24121.frags.mol2
110. BindingDB_24135.docklog.results_tab.log
111. BindingDB_24143.mol2
112. BindingDB_24135.frags.mol2
113. BindingDB_24121.docklog
114. BindingDB_24137.docklog.mol2
115. 2FME-voxthresh-2.pdb
116. BindingDB_24147.docklog.results_tab.log
117. BindingDB_24137.mol2
118. bdb_2FME_3QC_sim.txt
119. 2FME-voxthresh-8.pdb
120. BindingDB_24128.docklog
121. BindingDB_24125.docklog.mol2
122. 2FME.opt-protein-trim.mol2
123. BindingDB_24132.docklog.mol2
124. 2FME-results_BindingDB_24143.mol2
125. 2FME-results_BindingDB_24135.mol2
126. 2FME-results_BindingDB_24123.mol2
127. frag1.mol2
128. BindingDB_24121.docklog.mol2
129. BindingDB_24123.frags.mol2
130. BindingDB_24142.docklog.results_tab.log