Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50293106=0NJ in crystal structure 4E5D

1. BindingDB_50293130.mol2
2. 4E5D-voxthresh-4.pdb
3. prot-log.txt
4. 4E5D-results_BindingDB_50129784.mol2
5. BindingDB_50293109.frags.mol2
6. BindingDB_50293128.docklog.mol2
7. BindingDB_50293111.docklog
8. BindingDB_50293109.docklog.results_tab.log
9. 4E5D-voxthresh-9.pdb
10. BindingDB_50293120.docklog.results_tab.log
11. BindingDB_50293129.frags.mol2
12. BindingDB_50293127.docklog
13. BindingDB_50293105.docklog.mol2
14. 4E5D-voxthresh-7.pdb
15. BindingDB_50293127.mol2
16. BindingDB_50293122.docklog.mol2
17. 4E5D-voxthresh-5.pdb
18. bdb_4E5D_0NJ_3D.sdf
19. BindingDB_50293123.docklog.mol2
20. 4E5D.csv
21. BindingDB_50293118.docklog.results_tab.log
22. BindingDB_50293122.docklog
23. 4E5D_sdf-log.txt
24. BindingDB_50293111.docklog.mol2
25. BindingDB_50293110.docklog.results_tab.log
26. 4E5D-marked-vox.pdb
27. 4E5D-results_BindingDB_50293128.mol2
28. BindingDB_50293130.docklog.results_tab.log
29. BindingDB_50293120.mol2
30. BindingDB_50293118.frags.mol2
31. BindingDB_50293120.frags.mol2
32. BindingDB_50293130.frags.mol2
33. BindingDB_50293109.docklog.mol2
34. BindingDB_50293105.docklog.results_tab.log
35. BindingDB_50293126.docklog
36. 4E5D-results_BindingDB_50293127.mol2
37. 4E5D_ligand0.mol2
38. log-results.mol2
39. BindingDB_50293127.docklog.mol2
40. 4E5D-results_BindingDB_50293111.mol2
41. BindingDB_50129784.docklog.mol2
42. BindingDB_50293105.mol2
43. BindingDB_50293110.frags.mol2
44. BindingDB_50293118.docklog
45. BindingDB_50293128.docklog
46. BindingDB_50293129.mol2
47. 4E5D-results_BindingDB_50293123.mol2
48. 4E5D-marked-protein.pdb
49. BindingDB_50293124.docklog.mol2
50. BindingDB_50293127.frags.mol2
51. 4E5D-results_BindingDB_50293129.mol2
52. BindingDB_50293106.mol2
53. BindingDB_50293106.docklog
54. log-results_tab.log
55. BindingDB_50129784.docklog
56. 0NJ.sdf
57. protein_sampling.mol2
58. BindingDB_50293123.frags.mol2
59. 4E5D-results.mol2
60. BindingDB_50293126.docklog.results_tab.log
61. BindingDB_50293123.docklog.results_tab.log
62. BindingDB_50293109.docklog
63. bdb_4E5D_0NJ_sim.txt
64. BindingDB_50293129.docklog
65. 4E5D-voxthresh-8.pdb
66. BindingDB_50293127.docklog.results_tab.log
67. BindingDB_50293130.docklog.mol2
68. log
69. 4E5D_water.mol2
70. 4E5D.mol2
71. 4E5D.pdb
72. BindingDB_50293128.frags.mol2
73. 4E5D-results_tab.log
74. BindingDB_50129784.docklog.results_tab.log
75. BindingDB_50293129.docklog.mol2
76. BindingDB_50293122.mol2
77. 4E5D-protomol.mol2
78. BindingDB_50293123.mol2
79. 4E5D_congener-log.txt
80. 4E5D-results_BindingDB_50293110.mol2
81. BindingDB_50293110.docklog.mol2
82. BindingDB_50293111.mol2
83. BindingDB_50293124.docklog.results_tab.log
84. scale
85. 4E5D-voxthresh-1.pdb
86. 4E5D_congener.mol2
87. 4E5D.opt-protein-trim.mol2
88. frag2.mol2
89. 4E5D-results_BindingDB_50293126.mol2
90. prot.mol2
91. BindingDB_50129784.mol2
92. 4E5D-voxthresh-2.pdb
93. 4E5D-results_BindingDB_50293106.mol2
94. BindingDB_50293126.docklog.mol2
95. BindingDB_50293105.docklog
96. BindingDB_50293106.docklog.mol2
97. BindingDB_50293110.mol2
98. 4E5D-results_BindingDB_50293120.mol2
99. BindingDB_50293129.docklog.results_tab.log
100. 4E5D.Targets
101. BindingDB_50293123.docklog
102. BindingDB_50293128.docklog.results_tab.log
103. 4E5D-results_BindingDB_50293118.mol2
104. 4E5D-voxthresh-0.pdb
105. BindingDB_50293128.mol2
106. 4E5D-voxthresh-6.pdb
107. BindingDB_50293106.docklog.results_tab.log
108. BindingDB_50293122.frags.mol2
109. BindingDB_50293110.docklog
110. BindingDB_50293126.frags.mol2
111. BindingDB_50293111.docklog.results_tab.log
112. BindingDB_50293126.mol2
113. 4E5D_sdf.mol2
114. BindingDB_50293120.docklog.mol2
115. BindingDB_50293124.frags.mol2
116. BindingDB_50293120.docklog
117. 4E5D-results_BindingDB_50293105.mol2
118. BindingDB_50293109.mol2
119. 4E5D-results_BindingDB_50293122.mol2
120. BindingDB_50293124.mol2
121. BindingDB_50293111.frags.mol2
122. BindingDB_50293118.mol2
123. BindingDB_50293130.docklog
124. BindingDB_50129784.frags.mol2
125. BindingDB_50293124.docklog
126. BindingDB_50293122.docklog.results_tab.log
127. BindingDB_50293106.frags.mol2
128. 4E5D-results_BindingDB_50293109.mol2
129. frag1.mol2
130. BindingDB_50293105.frags.mol2
131. BindingDB_50293118.docklog.mol2
132. 4E5D-voxthresh-3.pdb