Full input and output files for computationally docked structures of congeneric ligands similar to BDBM26445=LK3 in crystal structure 2UUO

1. BindingDB_26444.mol2
2. BindingDB_26465.frags.mol2
3. 2UUO-voxthresh-0.pdb
4. BindingDB_26459.docklog.results_tab.log
5. BindingDB_26466.docklog.mol2
6. prot-log.txt
7. 2UUO-results_BindingDB_26444.mol2
8. 2UUO-protomol.mol2
9. BindingDB_26460.docklog.mol2
10. 2UUO-voxthresh-6.pdb
11. BindingDB_26452.docklog.mol2
12. BindingDB_26445.docklog.results_tab.log
13. bdb_2UUO_LK3_3D.sdf
14. 2UUO_sdf.mol2
15. 2UUO-results_BindingDB_26446.mol2
16. 2UUO-voxthresh-3.pdb
17. 2UUO-voxthresh-8.pdb
18. 2UUO_ligand2.mol2
19. 2UUO-marked-vox.pdb
20. BindingDB_26464.docklog.results_tab.log
21. BindingDB_26444.frags.mol2
22. BindingDB_26464.docklog
23. BindingDB_26449.docklog
24. 2UUO_sdf-log.txt
25. 2UUO.csv
26. 2UUO-voxthresh-4.pdb
27. BindingDB_26466.frags.mol2
28. BindingDB_26449.mol2
29. BindingDB_26443.mol2
30. BindingDB_26446.docklog.results_tab.log
31. 2UUO-results_BindingDB_26442.mol2
32. BindingDB_26450.docklog.results_tab.log
33. BindingDB_26445.docklog
34. BindingDB_26445.docklog.mol2
35. BindingDB_26452.docklog.results_tab.log
36. BindingDB_26460.frags.mol2
37. BindingDB_26452.mol2
38. BindingDB_26442.frags.mol2
39. BindingDB_26445.mol2
40. BindingDB_26452.docklog
41. BindingDB_26452.frags.mol2
42. BindingDB_26459.mol2
43. log-results.mol2
44. BindingDB_26446.docklog
45. BindingDB_26463.mol2
46. BindingDB_26463.docklog.results_tab.log
47. 2UUO-voxthresh-2.pdb
48. BindingDB_26444.docklog.mol2
49. BindingDB_26464.docklog.mol2
50. 2UUO-results_tab.log
51. BindingDB_26442.docklog.results_tab.log
52. log-results_tab.log
53. 2UUO-marked-protein.pdb
54. BindingDB_26448.docklog.mol2
55. BindingDB_26448.mol2
56. BindingDB_26463.docklog
57. BindingDB_26460.mol2
58. BindingDB_26466.docklog
59. BindingDB_26446.mol2
60. protein_sampling.mol2
61. BindingDB_26465.docklog.results_tab.log
62. BindingDB_26459.frags.mol2
63. BindingDB_26466.docklog.results_tab.log
64. BindingDB_26450.frags.mol2
65. 2UUO_water.mol2
66. BindingDB_26459.docklog
67. 2UUO_ligand0.mol2
68. log
69. 2UUO-results_BindingDB_26443.mol2
70. 2UUO-results_BindingDB_26445.mol2
71. BindingDB_26449.docklog.mol2
72. BindingDB_26448.docklog.results_tab.log
73. BindingDB_26449.frags.mol2
74. BindingDB_26443.frags.mol2
75. BindingDB_26450.docklog.mol2
76. 2UUO.opt-protein-trim.mol2
77. 2UUO-results_BindingDB_26465.mol2
78. BindingDB_26442.docklog.mol2
79. 2UUO_ligand1.mol2
80. 2UUO_congener.mol2
81. BindingDB_26446.docklog.mol2
82. LK3.sdf
83. BindingDB_26443.docklog
84. 2UUO.mol2
85. 2UUO-voxthresh-9.pdb
86. BindingDB_26465.docklog.mol2
87. scale
88. BindingDB_26443.docklog.mol2
89. BindingDB_26442.mol2
90. frag2.mol2
91. 2UUO-voxthresh-7.pdb
92. BindingDB_26445.frags.mol2
93. prot.mol2
94. BindingDB_26463.docklog.mol2
95. BindingDB_26464.frags.mol2
96. bdb_2UUO_LK3_sim.txt
97. 2UUO_congener-log.txt
98. BindingDB_26465.docklog
99. 2UUO-results_BindingDB_26460.mol2
100. BindingDB_26460.docklog
101. 2UUO-results_BindingDB_26463.mol2
102. UnDockable.list
103. BindingDB_26464.mol2
104. BindingDB_26442.docklog
105. 2UUO-results_BindingDB_26449.mol2
106. BindingDB_26446.frags.mol2
107. BindingDB_26459.docklog.mol2
108. BindingDB_26465.mol2
109. BindingDB_26450.mol2
110. 2UUO-results_BindingDB_26452.mol2
111. BindingDB_26443.docklog.results_tab.log
112. BindingDB_26448.docklog
113. BindingDB_26463.frags.mol2
114. 2UUO.pdb
115. 2UUO-results.mol2
116. 2UUO-results_BindingDB_26464.mol2
117. 2UUO-voxthresh-1.pdb
118. 2UUO-results_BindingDB_26459.mol2
119. BindingDB_26444.docklog
120. BindingDB_26466.mol2
121. 2UUO.Targets
122. BindingDB_26449.docklog.results_tab.log
123. BindingDB_26450.docklog
124. 2UUO-results_BindingDB_26450.mol2
125. frag1.mol2
126. BindingDB_26444.docklog.results_tab.log
127. BindingDB_26460.docklog.results_tab.log
128. BindingDB_26448.frags.mol2
129. 2UUO-voxthresh-5.pdb