Full input and output files for computationally docked structures of congeneric ligands similar to BDBM25820=53V in crystal structure 3EEM

1. BindingDB_50298801.frags.mol2
2. 3EEM_sdf.mol2
3. BindingDB_26518.docklog
4. BindingDB_50298800.docklog
5. prot-log.txt
6. 3EEM_sdf-log.txt
7. BindingDB_18496.docklog
8. BindingDB_25818.docklog.results_tab.log
9. 3EEM-voxthresh-4.pdb
10. 53V.sdf
11. 3EEM-results_BindingDB_50298803.mol2
12. BindingDB_50298801.docklog
13. 3EEM-voxthresh-1.pdb
14. BindingDB_26519.docklog.results_tab.log
15. BindingDB_50298803.docklog.mol2
16. 3EEM-results_BindingDB_50298801.mol2
17. BindingDB_18490.docklog.mol2
18. 3EEM-results_BindingDB_18492.mol2
19. BindingDB_50329608.mol2
20. 3EEM_congener-log.txt
21. 3EEM-results_BindingDB_25819.mol2
22. 3EEM-voxthresh-5.pdb
23. BindingDB_26518.docklog.mol2
24. 3EEM-results_BindingDB_50298800.mol2
25. BindingDB_18496.docklog.results_tab.log
26. 3EEM_ligand0.mol2
27. BindingDB_50329608.frags.mol2
28. BindingDB_25818.docklog.mol2
29. log-results.mol2
30. BindingDB_18492.docklog
31. BindingDB_18490.frags.mol2
32. BindingDB_50298803.mol2
33. 3EEM-results_BindingDB_26518.mol2
34. 3EEM-voxthresh-9.pdb
35. 3EEM-results_BindingDB_18490.mol2
36. BindingDB_26518.mol2
37. BindingDB_25820.docklog
38. BindingDB_50298801.mol2
39. BindingDB_18494.docklog
40. 3EEM_water.mol2
41. BindingDB_50298802.docklog
42. log-results_tab.log
43. 3EEM-results_BindingDB_18496.mol2
44. bdb_3EEM_53V_3D.sdf
45. BindingDB_26519.mol2
46. protein_sampling.mol2
47. 3EEM-voxthresh-8.pdb
48. BindingDB_50298802.mol2
49. BindingDB_25818.docklog
50. BindingDB_50298802.docklog.results_tab.log
51. BindingDB_50329608.docklog.mol2
52. BindingDB_18492.frags.mol2
53. 3EEM_ligand1.mol2
54. BindingDB_18490.docklog.results_tab.log
55. BindingDB_18496.mol2
56. BindingDB_50298809.docklog
57. BindingDB_50298809.docklog.mol2
58. BindingDB_25818.frags.mol2
59. 3EEM-voxthresh-3.pdb
60. BindingDB_50298809.frags.mol2
61. 3EEM-voxthresh-6.pdb
62. BindingDB_25820.docklog.results_tab.log
63. log
64. bdb_3EEM_53V_sim.txt
65. BindingDB_18494.frags.mol2
66. 3EEM-results_BindingDB_50298809.mol2
67. 3EEM-marked-vox.pdb
68. BindingDB_26519.frags.mol2
69. BindingDB_50298803.docklog.results_tab.log
70. BindingDB_26518.frags.mol2
71. BindingDB_25820.docklog.mol2
72. BindingDB_18490.docklog
73. BindingDB_50298802.docklog.mol2
74. BindingDB_50298803.frags.mol2
75. BindingDB_50298809.docklog.results_tab.log
76. BindingDB_26519.docklog.mol2
77. BindingDB_18494.mol2
78. BindingDB_26518.docklog.results_tab.log
79. scale
80. 3EEM-voxthresh-0.pdb
81. frag2.mol2
82. BindingDB_50329608.docklog
83. prot.mol2
84. 3EEM-results_BindingDB_25818.mol2
85. BindingDB_25818.mol2
86. BindingDB_18494.docklog.results_tab.log
87. 3EEM.Targets
88. BindingDB_25819.mol2
89. BindingDB_50298800.frags.mol2
90. BindingDB_50298809.mol2
91. 3EEM-results_BindingDB_26519.mol2
92. BindingDB_18496.docklog.mol2
93. BindingDB_18494.docklog.mol2
94. BindingDB_18492.docklog.mol2
95. 3EEM_congener.mol2
96. 3EEM-results_BindingDB_18494.mol2
97. UnDockable.list
98. BindingDB_50298800.docklog.mol2
99. 3EEM-voxthresh-2.pdb
100. BindingDB_25820.mol2
101. 3EEM-results.mol2
102. BindingDB_25820.frags.mol2
103. BindingDB_18496.frags.mol2
104. BindingDB_18490.mol2
105. 3EEM-voxthresh-7.pdb
106. 3EEM-results_tab.log
107. BindingDB_25819.docklog.results_tab.log
108. 3EEM-results_BindingDB_25820.mol2
109. BindingDB_50298801.docklog.mol2
110. 3EEM.mol2
111. BindingDB_50298801.docklog.results_tab.log
112. BindingDB_50329608.docklog.results_tab.log
113. BindingDB_50298802.frags.mol2
114. BindingDB_25819.docklog.mol2
115. BindingDB_25819.frags.mol2
116. BindingDB_50298803.docklog
117. BindingDB_25819.docklog
118. BindingDB_18492.mol2
119. 3EEM.opt-protein-trim.mol2
120. 3EEM.pdb
121. BindingDB_26519.docklog
122. 3EEM.csv
123. BindingDB_50298800.docklog.results_tab.log
124. 3EEM-protomol.mol2
125. frag1.mol2
126. BindingDB_50298800.mol2
127. 3EEM-marked-protein.pdb
128. BindingDB_18492.docklog.results_tab.log