Full input and output files for computationally docked structures of congeneric ligands similar to BDBM11608=SDA in crystal structure 1ZGE

1. BindingDB_11383.frags.mol2
2. 1ZGE.opt-protein-trim.mol2
3. BindingDB_11609.mol2
4. SDA.sdf
5. prot-log.txt
6. BindingDB_11610.docklog
7. BindingDB_50160668.docklog.mol2
8. BindingDB_50080660.mol2
9. 1ZGE.Targets
10. 1ZGE-results_BindingDB_10857.mol2
11. BindingDB_10857.frags.mol2
12. BindingDB_11609.frags.mol2
13. BindingDB_50094394.frags.mol2
14. BindingDB_50160668.docklog.results_tab.log
15. BindingDB_11605.frags.mol2
16. 1ZGE-results_BindingDB_11381.mol2
17. BindingDB_12161.docklog.mol2
18. BindingDB_11381.docklog.mol2
19. BindingDB_11605.docklog.mol2
20. 1ZGE-voxthresh-10.pdb
21. BindingDB_50079043.frags.mol2
22. BindingDB_11608.frags.mol2
23. BindingDB_11608.docklog
24. 1ZGE-protomol.mol2
25. BindingDB_50094394.docklog.mol2
26. BindingDB_10863.docklog.results_tab.log
27. BindingDB_11381.frags.mol2
28. 1ZGE-voxthresh-9.pdb
29. BindingDB_11383.mol2
30. BindingDB_12161.frags.mol2
31. 1ZGE-results_BindingDB_11610.mol2
32. log-results.mol2
33. BindingDB_11609.docklog.results_tab.log
34. BindingDB_10863.docklog.mol2
35. BindingDB_50080660.docklog.mol2
36. 1ZGE_water.mol2
37. BindingDB_50079043.docklog.results_tab.log
38. 1ZGE-results_BindingDB_11383.mol2
39. BindingDB_50080660.frags.mol2
40. 1ZGE-voxthresh-6.pdb
41. 1ZGE-marked-vox.pdb
42. BindingDB_50079043.docklog.mol2
43. BindingDB_50080675.frags.mol2
44. 1ZGE_congener-log.txt
45. BindingDB_50079043.mol2
46. 1ZGE.csv
47. BindingDB_11597.docklog.results_tab.log
48. 1ZGE-marked-protein.pdb
49. BindingDB_10863.mol2
50. BindingDB_12161.mol2
51. BindingDB_10857.docklog.mol2
52. log-results_tab.log
53. 1ZGE-results_BindingDB_11597.mol2
54. 1ZGE-voxthresh-7.pdb
55. BindingDB_11597.docklog
56. 1ZGE_sdf-log.txt
57. 1ZGE-results_tab.log
58. bdb_1ZGE_SDA_sim.txt
59. BindingDB_11605.docklog
60. 1ZGE-results_BindingDB_11605.mol2
61. BindingDB_50160668.mol2
62. BindingDB_11608.docklog.mol2
63. protein_sampling.mol2
64. BindingDB_10857.docklog
65. BindingDB_11383.docklog
66. BindingDB_10863.frags.mol2
67. 1ZGE-results_BindingDB_11608.mol2
68. BindingDB_10857.mol2
69. log
70. BindingDB_50080675.docklog
71. BindingDB_11381.docklog.results_tab.log
72. ligand_sampling.mol2
73. 1ZGE-voxthresh-8.pdb
74. BindingDB_50080675.docklog.mol2
75. 1ZGE_ligand1.mol2
76. 1ZGE-results_BindingDB_11609.mol2
77. BindingDB_11610.docklog.mol2
78. BindingDB_11597.frags.mol2
79. bdb_1ZGE_SDA_3D.sdf
80. BindingDB_11609.docklog.mol2
81. BindingDB_50160668.frags.mol2
82. BindingDB_50160668.docklog
83. BindingDB_11605.mol2
84. BindingDB_11610.mol2
85. scale
86. 1ZGE-voxthresh-2.pdb
87. frag2.mol2
88. BindingDB_50080675.mol2
89. 1ZGE-results.mol2
90. BindingDB_50094394.docklog.results_tab.log
91. BindingDB_12161.docklog.results_tab.log
92. prot.mol2
93. BindingDB_12161.docklog
94. BindingDB_11383.docklog.mol2
95. 1ZGE-voxthresh-3.pdb
96. BindingDB_50079043.docklog
97. BindingDB_11383.docklog.results_tab.log
98. BindingDB_10857.docklog.results_tab.log
99. BindingDB_50080660.docklog.results_tab.log
100. 1ZGE_ligand2.mol2
101. BindingDB_11608.mol2
102. BindingDB_11597.mol2
103. BindingDB_11381.mol2
104. BindingDB_50094394.docklog
105. BindingDB_50080660.docklog
106. 1ZGE.mol2
107. 1ZGE_congener.mol2
108. 1ZGE-results_BindingDB_10863.mol2
109. BindingDB_11609.docklog
110. BindingDB_11597.docklog.mol2
111. BindingDB_11605.docklog.results_tab.log
112. BindingDB_11381.docklog
113. BindingDB_10863.docklog
114. 1ZGE-voxthresh-4.pdb
115. 1ZGE-voxthresh-1.pdb
116. BindingDB_11610.frags.mol2
117. 1ZGE-voxthresh-0.pdb
118. 1ZGE-results_BindingDB_12161.mol2
119. BindingDB_50094394.mol2
120. BindingDB_50080675.docklog.results_tab.log
121. BindingDB_11608.docklog.results_tab.log
122. frag1.mol2
123. BindingDB_11610.docklog.results_tab.log
124. 1ZGE-voxthresh-5.pdb
125. 1ZGE_sdf.mol2
126. 1ZGE_ligand0.mol2
127. 1ZGE.pdb