Full input and output files for computationally docked structures of congeneric ligands similar to BDBM7769=LS2 in crystal structure 1KE6

1. BindingDB_7767.docklog.mol2
2. BindingDB_7769.mol2
3. 1KE6-protomol.mol2
4. BindingDB_7770.mol2
5. BindingDB_7744.mol2
6. prot-log.txt
7. BindingDB_7754.docklog
8. BindingDB_7768.mol2
9. BindingDB_7770.docklog
10. BindingDB_7772.docklog.results_tab.log
11. BindingDB_7758.frags.mol2
12. 1KE6-results_tab.log
13. 1KE6-voxthresh-0.pdb
14. 1KE6-results_BindingDB_7754.mol2
15. BindingDB_7758.docklog.results_tab.log
16. 1KE6-results_BindingDB_7745.mol2
17. BindingDB_7749.docklog.results_tab.log
18. 1KE6-results_BindingDB_7743.mol2
19. BindingDB_7760.docklog
20. BindingDB_7760.mol2
21. BindingDB_7769.docklog.mol2
22. BindingDB_7758.docklog
23. BindingDB_7771.frags.mol2
24. 1KE6_sdf-log.txt
25. BindingDB_7769.docklog.results_tab.log
26. 1KE6.pdb
27. 1KE6-voxthresh-5.pdb
28. BindingDB_7766.docklog.results_tab.log
29. BindingDB_7744.docklog
30. bdb_1KE6_LS2_sim.txt
31. 1KE6-voxthresh-10.pdb
32. 1KE6-results.mol2
33. BindingDB_7767.docklog.results_tab.log
34. BindingDB_7758.mol2
35. BindingDB_7747.mol2
36. BindingDB_7768.docklog.mol2
37. BindingDB_7743.frags.mol2
38. BindingDB_7748.docklog.results_tab.log
39. 1KE6_sdf.mol2
40. BindingDB_7767.mol2
41. BindingDB_7760.docklog.results_tab.log
42. BindingDB_7745.docklog.mol2
43. BindingDB_7754.frags.mol2
44. 1KE6-results_BindingDB_7771.mol2
45. BindingDB_7760.frags.mol2
46. log-results.mol2
47. 1KE6-voxthresh-1.pdb
48. 1KE6.csv
49. BindingDB_7771.docklog.results_tab.log
50. bdb_1KE6_LS2_3D.sdf
51. 1KE6-voxthresh-3.pdb
52. BindingDB_7743.docklog.results_tab.log
53. BindingDB_7760.docklog.mol2
54. BindingDB_7768.docklog
55. 1KE6-voxthresh-8.pdb
56. BindingDB_7766.frags.mol2
57. BindingDB_7768.docklog.results_tab.log
58. BindingDB_7749.docklog
59. BindingDB_7767.docklog
60. 1KE6-results_BindingDB_7768.mol2
61. BindingDB_7761.docklog.mol2
62. LS2.sdf
63. 1KE6_congener-log.txt
64. BindingDB_7769.docklog
65. log-results_tab.log
66. BindingDB_7744.docklog.mol2
67. BindingDB_7770.frags.mol2
68. BindingDB_7768.frags.mol2
69. BindingDB_7772.mol2
70. BindingDB_7748.mol2
71. BindingDB_7766.mol2
72. BindingDB_7754.mol2
73. 1KE6-results_BindingDB_7769.mol2
74. BindingDB_7748.docklog
75. BindingDB_7745.docklog
76. 1KE6-voxthresh-6.pdb
77. log
78. 1KE6_ligand0.mol2
79. 1KE6-voxthresh-9.pdb
80. 1KE6-results_BindingDB_7747.mol2
81. BindingDB_7767.frags.mol2
82. BindingDB_7747.docklog.results_tab.log
83. 1KE6.opt-protein-trim.mol2
84. BindingDB_7748.docklog.mol2
85. BindingDB_7744.docklog.results_tab.log
86. BindingDB_7743.docklog.mol2
87. BindingDB_7772.docklog
88. 1KE6_water.mol2
89. BindingDB_7770.docklog.results_tab.log
90. BindingDB_7749.mol2
91. BindingDB_7772.frags.mol2
92. BindingDB_7761.docklog
93. 1KE6-voxthresh-7.pdb
94. BindingDB_7754.docklog.results_tab.log
95. BindingDB_7758.docklog.mol2
96. scale
97. BindingDB_7771.docklog.mol2
98. 1KE6-voxthresh-4.pdb
99. frag2.mol2
100. BindingDB_7743.docklog
101. 1KE6-results_BindingDB_7744.mol2
102. 1KE6-results_BindingDB_7767.mol2
103. BindingDB_7771.mol2
104. BindingDB_7771.docklog
105. prot.mol2
106. 1KE6-results_BindingDB_7766.mol2
107. BindingDB_7766.docklog.mol2
108. BindingDB_7747.frags.mol2
109. BindingDB_7745.frags.mol2
110. BindingDB_7772.docklog.mol2
111. 1KE6-results_BindingDB_7760.mol2
112. BindingDB_7769.frags.mol2
113. 1KE6-results_BindingDB_7761.mol2
114. BindingDB_7743.mol2
115. 1KE6_congener.mol2
116. BindingDB_7749.docklog.mol2
117. BindingDB_7770.docklog.mol2
118. BindingDB_7745.mol2
119. BindingDB_7749.frags.mol2
120. BindingDB_7748.frags.mol2
121. BindingDB_7745.docklog.results_tab.log
122. BindingDB_7744.frags.mol2
123. BindingDB_7761.frags.mol2
124. 1KE6-results_BindingDB_7770.mol2
125. 1KE6-voxthresh-2.pdb
126. BindingDB_7747.docklog
127. 1KE6-marked-vox.pdb
128. 1KE6.Targets
129. BindingDB_7754.docklog.mol2
130. 1KE6.mol2
131. BindingDB_7747.docklog.mol2
132. 1KE6-results_BindingDB_7748.mol2
133. BindingDB_7761.docklog.results_tab.log
134. frag1.mol2
135. BindingDB_7766.docklog
136. BindingDB_7761.mol2
137. 1KE6-marked-protein.pdb