Full input and output files for computationally docked structures of congeneric ligands similar to BDBM25901=BL1 in crystal structure 3BL1

1. BindingDB_50101382.docklog
2. BindingDB_50101380.docklog
3. 3BL1.Targets
4. 3BL1-voxthresh-2.pdb
5. BindingDB_50101347.mol2
6. prot-log.txt
7. BindingDB_50101382.docklog.results_tab.log
8. BindingDB_25900.docklog.results_tab.log
9. BindingDB_50101358.frags.mol2
10. BindingDB_50101371.docklog.results_tab.log
11. 3BL1_congener.mol2
12. BindingDB_25899.mol2
13. BindingDB_50101338.docklog.mol2
14. BindingDB_50101371.docklog.mol2
15. BindingDB_50101367.docklog
16. BindingDB_25899.docklog
17. BindingDB_25902.docklog
18. BindingDB_50101354.docklog.results_tab.log
19. BindingDB_50101392.docklog
20. BindingDB_50101338.frags.mol2
21. BindingDB_50101374.docklog
22. 3BL1.csv
23. BindingDB_50101347.docklog.results_tab.log
24. BindingDB_50101363.docklog
25. 3BL1.opt-protein-trim.mol2
26. 3BL1-voxthresh-10.pdb
27. BindingDB_50101376.mol2
28. BindingDB_50101376.docklog
29. BindingDB_50101388.docklog.results_tab.log
30. BindingDB_25899.docklog.results_tab.log
31. 3BL1-voxthresh-5.pdb
32. BindingDB_50101347.frags.mol2
33. BindingDB_50101359.frags.mol2
34. BindingDB_25898.frags.mol2
35. BindingDB_50101384.mol2
36. BindingDB_50101359.docklog
37. BindingDB_25898.mol2
38. BindingDB_25902.mol2
39. BindingDB_50101359.mol2
40. BindingDB_25898.docklog
41. BindingDB_25899.frags.mol2
42. BindingDB_50101376.docklog.results_tab.log
43. BindingDB_25898.docklog.results_tab.log
44. BindingDB_50101347.docklog.mol2
45. BindingDB_50101380.docklog.results_tab.log
46. 3BL1-marked-vox.pdb
47. BindingDB_50101358.docklog.results_tab.log
48. BindingDB_50101358.mol2
49. BindingDB_50101370.mol2
50. 3BL1-voxthresh-9.pdb
51. BindingDB_50101358.docklog.mol2
52. log-results.mol2
53. BindingDB_50101388.frags.mol2
54. 3BL1-voxthresh-6.pdb
55. 3BL1_water.mol2
56. BindingDB_50101380.docklog.mol2
57. BindingDB_50101392.docklog.results_tab.log
58. BindingDB_50101371.frags.mol2
59. 3BL1-results.mol2
60. BindingDB_50101384.docklog.mol2
61. BindingDB_50101388.docklog
62. BindingDB_50101359.docklog.results_tab.log
63. 3BL1-marked-protein.pdb
64. 3BL1_congener-log.txt
65. BindingDB_25902.docklog.mol2
66. log-results_tab.log
67. BindingDB_25902.frags.mol2
68. BindingDB_25899.docklog.mol2
69. BindingDB_50101376.frags.mol2
70. 3BL1-voxthresh-1.pdb
71. 3BL1-voxthresh-8.pdb
72. BindingDB_50101380.frags.mol2
73. BindingDB_50101367.frags.mol2
74. BindingDB_50101388.mol2
75. BindingDB_25901.docklog.results_tab.log
76. BindingDB_50101384.docklog.results_tab.log
77. protein_sampling.mol2
78. bdb_3BL1_BL1_sim.txt
79. BindingDB_50101338.mol2
80. BindingDB_25898.docklog.mol2
81. 3BL1_ligand0.mol2
82. BindingDB_50101347.docklog
83. BindingDB_50101382.mol2
84. BindingDB_50101363.docklog.mol2
85. log
86. BindingDB_50101374.docklog.mol2
87. BindingDB_50101354.mol2
88. BindingDB_50101376.docklog.mol2
89. ligand_sampling.mol2
90. BindingDB_25901.docklog.mol2
91. BindingDB_25900.mol2
92. 3BL1-voxthresh-7.pdb
93. BindingDB_25900.docklog
94. BindingDB_50101354.docklog.mol2
95. BindingDB_50101363.docklog.results_tab.log
96. BindingDB_50101363.frags.mol2
97. BindingDB_50101370.docklog.mol2
98. 3BL1-voxthresh-4.pdb
99. BindingDB_50101371.docklog
100. BindingDB_50101367.mol2
101. 3BL1_sdf.mol2
102. BindingDB_25900.frags.mol2
103. BindingDB_50101367.docklog.results_tab.log
104. BindingDB_50101374.frags.mol2
105. 3BL1.mol2
106. BL1.sdf
107. BindingDB_50101374.docklog.results_tab.log
108. BindingDB_25900.docklog.mol2
109. 3BL1-results_tab.log
110. BindingDB_50101370.frags.mol2
111. BindingDB_50101374.mol2
112. BindingDB_25902.docklog.results_tab.log
113. scale
114. BindingDB_50101354.docklog
115. BindingDB_50101384.docklog
116. frag2.mol2
117. prot.mol2
118. BindingDB_50101338.docklog
119. BindingDB_50101392.mol2
120. BindingDB_25901.docklog
121. BindingDB_50101367.docklog.mol2
122. BindingDB_50101380.mol2
123. BindingDB_50101370.docklog.results_tab.log
124. bdb_3BL1_BL1_3D.sdf
125. BindingDB_50101388.docklog.mol2
126. BindingDB_25901.frags.mol2
127. 3BL1-protomol.mol2
128. BindingDB_50101358.docklog
129. BindingDB_50101371.mol2
130. 3BL1-voxthresh-3.pdb
131. BindingDB_50101354.frags.mol2
132. BindingDB_50101338.docklog.results_tab.log
133. BindingDB_50101384.frags.mol2
134. BindingDB_50101392.docklog.mol2
135. 3BL1-results_BindingDB_25898.mol2
136. 3BL1-voxthresh-0.pdb
137. BindingDB_50101359.docklog.mol2
138. BindingDB_50101382.frags.mol2
139. BindingDB_50101363.mol2
140. BindingDB_25901.mol2
141. BindingDB_50101382.docklog.mol2
142. BindingDB_50101370.docklog
143. 3BL1_sdf-log.txt
144. 3BL1.pdb
145. BindingDB_50101392.frags.mol2
146. frag1.mol2
147. 3BL1-results_BindingDB_25901.mol2