Full input and output files for computationally docked structures of congeneric ligands similar to BDBM15247=A25 in crystal structure 2E9U

1. 2E9U-results_tab.log
2. BindingDB_15260.docklog.mol2
3. 2E9U-protomol.mol2
4. BindingDB_15262.docklog.results_tab.log
5. 2E9U.opt-protein-trim.mol2
6. BindingDB_15262.mol2
7. prot-log.txt
8. BindingDB_15261.docklog.mol2
9. 2E9U-results_BindingDB_15262.mol2
10. BindingDB_50224893.docklog
11. 2E9U_congener.mol2
12. BindingDB_15267.docklog.mol2
13. BindingDB_15246.docklog
14. A25.sdf
15. BindingDB_15246.frags.mol2
16. BindingDB_50224901.docklog
17. BindingDB_50224617.mol2
18. 2E9U-voxthresh-0.pdb
19. 2E9U-results_BindingDB_15252.mol2
20. BindingDB_50224617.docklog
21. 2E9U.csv
22. BindingDB_50224617.docklog.mol2
23. BindingDB_15286.docklog
24. BindingDB_15268.docklog
25. BindingDB_15250.mol2
26. BindingDB_15259.docklog.mol2
27. BindingDB_50224893.frags.mol2
28. BindingDB_15247.docklog
29. 2E9U-voxthresh-3.pdb
30. BindingDB_15268.docklog.mol2
31. BindingDB_15248.docklog.mol2
32. BindingDB_15252.docklog.mol2
33. 2E9U-voxthresh-9.pdb
34. BindingDB_15251.mol2
35. 2E9U-voxthresh-2.pdb
36. 2E9U-results_BindingDB_15253.mol2
37. BindingDB_50224617.frags.mol2
38. 2E9U_ligand0.mol2
39. BindingDB_15253.frags.mol2
40. BindingDB_15253.mol2
41. BindingDB_15253.docklog.mol2
42. 2E9U.Targets
43. 2E9U-marked-vox.pdb
44. 2E9U.mol2
45. BindingDB_15260.frags.mol2
46. 2E9U-voxthresh-7.pdb
47. 2E9U-voxthresh-6.pdb
48. BindingDB_15267.frags.mol2
49. log-results.mol2
50. BindingDB_15249.frags.mol2
51. BindingDB_15248.docklog
52. BindingDB_50224893.docklog.mol2
53. BindingDB_15253.docklog
54. bdb_2E9U_A25_sim.txt
55. 2E9U_water.mol2
56. BindingDB_15268.frags.mol2
57. BindingDB_15261.docklog.results_tab.log
58. BindingDB_15262.docklog.mol2
59. BindingDB_15249.docklog.results_tab.log
60. BindingDB_15262.frags.mol2
61. BindingDB_15268.mol2
62. BindingDB_15267.mol2
63. BindingDB_15247.mol2
64. BindingDB_15251.docklog
65. BindingDB_15268.docklog.results_tab.log
66. 2E9U-results_BindingDB_15246.mol2
67. BindingDB_15286.docklog.mol2
68. 2E9U-results_BindingDB_15249.mol2
69. BindingDB_15267.docklog.results_tab.log
70. BindingDB_15259.docklog
71. BindingDB_15252.docklog
72. log-results_tab.log
73. BindingDB_15259.docklog.results_tab.log
74. BindingDB_15250.docklog.mol2
75. BindingDB_15251.frags.mol2
76. 2E9U-results_BindingDB_15248.mol2
77. protein_sampling.mol2
78. 2E9U-results_BindingDB_15267.mol2
79. 2E9U-results_BindingDB_15250.mol2
80. BindingDB_15246.docklog.mol2
81. BindingDB_15286.frags.mol2
82. BindingDB_50224893.mol2
83. 2E9U-results_BindingDB_15261.mol2
84. log
85. BindingDB_15261.mol2
86. BindingDB_15248.frags.mol2
87. BindingDB_15252.docklog.results_tab.log
88. BindingDB_15247.docklog.results_tab.log
89. BindingDB_15248.docklog.results_tab.log
90. ligand_sampling.mol2
91. BindingDB_15252.mol2
92. BindingDB_15286.mol2
93. BindingDB_15260.docklog.results_tab.log
94. BindingDB_15246.mol2
95. BindingDB_15260.docklog
96. BindingDB_15267.docklog
97. 2E9U_congener-log.txt
98. BindingDB_15248.mol2
99. BindingDB_15259.frags.mol2
100. BindingDB_15250.frags.mol2
101. BindingDB_15259.mol2
102. BindingDB_50224901.docklog.results_tab.log
103. BindingDB_15260.mol2
104. scale
105. BindingDB_15250.docklog
106. frag2.mol2
107. 2E9U-results_BindingDB_15260.mol2
108. prot.mol2
109. BindingDB_15251.docklog.results_tab.log
110. 2E9U_sdf.mol2
111. 2E9U-voxthresh-8.pdb
112. BindingDB_15250.docklog.results_tab.log
113. BindingDB_15247.docklog.mol2
114. BindingDB_15261.docklog
115. 2E9U_sdf-log.txt
116. 2E9U.pdb
117. 2E9U-marked-protein.pdb
118. 2E9U-results_BindingDB_15251.mol2
119. BindingDB_15247.frags.mol2
120. BindingDB_15286.docklog.results_tab.log
121. BindingDB_15251.docklog.mol2
122. BindingDB_15252.frags.mol2
123. BindingDB_15253.docklog.results_tab.log
124. BindingDB_50224901.mol2
125. BindingDB_15261.frags.mol2
126. BindingDB_50224901.frags.mol2
127. 2E9U-voxthresh-4.pdb
128. BindingDB_50224617.docklog.results_tab.log
129. BindingDB_15249.mol2
130. BindingDB_50224893.docklog.results_tab.log
131. 2E9U-results_BindingDB_15247.mol2
132. BindingDB_50224901.docklog.mol2
133. bdb_2E9U_A25_3D.sdf
134. BindingDB_15246.docklog.results_tab.log
135. 2E9U-results_BindingDB_15268.mol2
136. 2E9U-results.mol2
137. frag1.mol2
138. BindingDB_15249.docklog
139. 2E9U-results_BindingDB_15259.mol2
140. BindingDB_15249.docklog.mol2
141. 2E9U-voxthresh-5.pdb
142. 2E9U-voxthresh-1.pdb
143. BindingDB_15262.docklog