Full input and output files for computationally docked structures of congeneric ligands similar to BDBM14974=RAJ in crystal structure 2OO8

1. BindingDB_14975.docklog.results_tab.log
2. 2OO8.csv
3. BindingDB_14974.docklog.results_tab.log
4. BindingDB_35320.mol2
5. prot-log.txt
6. BindingDB_35318.frags.mol2
7. BindingDB_14972.docklog.mol2
8. BindingDB_14973.mol2
9. 2OO8-voxthresh-8.pdb
10. BindingDB_14989.mol2
11. BindingDB_14980.docklog.mol2
12. 2OO8-voxthresh-2.pdb
13. BindingDB_14980.docklog.results_tab.log
14. 2OO8_congener-log.txt
15. BindingDB_14975.docklog.mol2
16. BindingDB_35322.mol2
17. 2OO8_water.mol2
18. BindingDB_50237710.docklog.results_tab.log
19. BindingDB_35320.docklog
20. 2OO8-results_BindingDB_35318.mol2
21. 2OO8-voxthresh-9.pdb
22. BindingDB_35318.mol2
23. BindingDB_14989.docklog.results_tab.log
24. BindingDB_50207861.mol2
25. 2OO8-marked-vox.pdb
26. BindingDB_14976.docklog.results_tab.log
27. 2OO8-voxthresh-1.pdb
28. BindingDB_13530.mol2
29. BindingDB_13530.docklog.results_tab.log
30. BindingDB_14975.frags.mol2
31. BindingDB_14989.docklog
32. 2OO8-results_BindingDB_35321.mol2
33. BindingDB_35321.docklog.mol2
34. BindingDB_35321.frags.mol2
35. BindingDB_35319.mol2
36. BindingDB_14971.mol2
37. 2OO8-results_BindingDB_35319.mol2
38. BindingDB_35322.docklog
39. 2OO8-protomol.mol2
40. BindingDB_14974.docklog.mol2
41. BindingDB_35319.docklog.mol2
42. 2OO8.pdb
43. log-results.mol2
44. BindingDB_50237710.frags.mol2
45. BindingDB_13530.docklog.mol2
46. 2OO8-results_BindingDB_14972.mol2
47. BindingDB_15020.frags.mol2
48. 2OO8-voxthresh-3.pdb
49. 2OO8.opt-protein-trim.mol2
50. BindingDB_14973.docklog
51. BindingDB_15020.docklog.mol2
52. BindingDB_14975.mol2
53. 2OO8_sdf-log.txt
54. 2OO8-voxthresh-5.pdb
55. BindingDB_14976.frags.mol2
56. BindingDB_14976.mol2
57. BindingDB_50207861.docklog.mol2
58. BindingDB_15020.docklog.results_tab.log
59. 2OO8-results_BindingDB_14976.mol2
60. BindingDB_14974.mol2
61. BindingDB_35320.docklog.results_tab.log
62. 2OO8_ligand0.mol2
63. BindingDB_14971.docklog.results_tab.log
64. log-results_tab.log
65. BindingDB_14972.frags.mol2
66. BindingDB_13530.docklog
67. RAJ.sdf
68. BindingDB_14976.docklog
69. BindingDB_50207861.docklog.results_tab.log
70. BindingDB_35320.docklog.mol2
71. BindingDB_50237710.mol2
72. protein_sampling.mol2
73. BindingDB_14980.docklog
74. BindingDB_13530.frags.mol2
75. 2OO8_sdf.mol2
76. BindingDB_14974.docklog
77. 2OO8-voxthresh-10.pdb
78. 2OO8-results_BindingDB_15020.mol2
79. 2OO8-results.mol2
80. BindingDB_14972.docklog.results_tab.log
81. log
82. BindingDB_35321.docklog.results_tab.log
83. BindingDB_14972.docklog
84. BindingDB_14989.frags.mol2
85. 2OO8-results_BindingDB_50207861.mol2
86. BindingDB_35322.docklog.results_tab.log
87. BindingDB_14975.docklog
88. BindingDB_35322.frags.mol2
89. BindingDB_14972.mol2
90. BindingDB_14971.docklog.mol2
91. BindingDB_35319.frags.mol2
92. BindingDB_14971.docklog
93. BindingDB_35318.docklog
94. BindingDB_50207861.frags.mol2
95. 2OO8-results_BindingDB_14971.mol2
96. scale
97. frag2.mol2
98. BindingDB_14973.docklog.results_tab.log
99. 2OO8-voxthresh-6.pdb
100. prot.mol2
101. 2OO8-voxthresh-7.pdb
102. BindingDB_35321.mol2
103. bdb_2OO8_RAJ_sim.txt
104. BindingDB_14980.frags.mol2
105. BindingDB_50207861.docklog
106. UnDockable.list
107. 2OO8-results_tab.log
108. 2OO8-voxthresh-0.pdb
109. 2OO8-results_BindingDB_14973.mol2
110. BindingDB_14973.docklog.mol2
111. BindingDB_35321.docklog
112. BindingDB_50237710.docklog
113. BindingDB_35319.docklog
114. 2OO8.mol2
115. BindingDB_35318.docklog.results_tab.log
116. BindingDB_14971.frags.mol2
117. BindingDB_14973.frags.mol2
118. 2OO8-voxthresh-4.pdb
119. BindingDB_14989.docklog.mol2
120. BindingDB_35319.docklog.results_tab.log
121. bdb_2OO8_RAJ_3D.sdf
122. BindingDB_15020.docklog
123. 2OO8.Targets
124. 2OO8_congener.mol2
125. 2OO8-marked-protein.pdb
126. BindingDB_14980.mol2
127. BindingDB_35318.docklog.mol2
128. BindingDB_35320.frags.mol2
129. frag1.mol2
130. BindingDB_50237710.docklog.mol2
131. 2OO8-results_BindingDB_14974.mol2
132. 2OO8-results_BindingDB_35320.mol2
133. BindingDB_14976.docklog.mol2
134. BindingDB_35322.docklog.mol2
135. BindingDB_15020.mol2
136. BindingDB_14974.frags.mol2
137. 2OO8-results_BindingDB_14975.mol2