Full input and output files for computationally docked structures of congeneric ligands similar to BDBM20608=OHT in crystal structure 1VJB

1. BindingDB_22424.docklog.mol2
2. BindingDB_22423.docklog.mol2
3. 1VJB-voxthresh-2.pdb
4. BindingDB_22434.frags.mol2
5. prot-log.txt
6. BindingDB_22432.docklog
7. BindingDB_22426.frags.mol2
8. BindingDB_22427.docklog.mol2
9. BindingDB_22431.docklog.mol2
10. BindingDB_22425.mol2
11. 1VJB-voxthresh-1.pdb
12. BindingDB_22433.docklog.results_tab.log
13. BindingDB_22427.docklog.results_tab.log
14. BindingDB_22423.docklog.results_tab.log
15. 1VJB-voxthresh-3.pdb
16. 1VJB.csv
17. BindingDB_22435.mol2
18. BindingDB_22432.frags.mol2
19. BindingDB_22436.mol2
20. 1VJB-voxthresh-4.pdb
21. OHT.sdf
22. BindingDB_22430.docklog.mol2
23. BindingDB_22426.docklog.mol2
24. BindingDB_22430.mol2
25. BindingDB_20608.docklog.mol2
26. BindingDB_22423.mol2
27. BindingDB_22424.frags.mol2
28. 1VJB-voxthresh-0.pdb
29. 1VJB-results_BindingDB_22427.mol2
30. 1VJB-results_BindingDB_22425.mol2
31. BindingDB_22434.docklog.mol2
32. BindingDB_22434.mol2
33. BindingDB_22424.mol2
34. BindingDB_22424.docklog
35. bdb_1VJB_OHT_sim.txt
36. BindingDB_22431.frags.mol2
37. 1VJB-results_BindingDB_22424.mol2
38. BindingDB_22425.docklog.mol2
39. 1VJB_congener-log.txt
40. log-results.mol2
41. 1VJB.opt-protein-trim.mol2
42. 1VJB-protomol.mol2
43. BindingDB_22431.mol2
44. BindingDB_20608.frags.mol2
45. 1VJB-marked-protein.pdb
46. BindingDB_22435.docklog.mol2
47. 1VJB-voxthresh-8.pdb
48. BindingDB_22429.docklog.mol2
49. 1VJB-results_BindingDB_22434.mol2
50. log-results_tab.log
51. BindingDB_22430.docklog
52. 1VJB-results_BindingDB_20608.mol2
53. BindingDB_22424.docklog.results_tab.log
54. 1VJB-voxthresh-7.pdb
55. 1VJB_ligand1.mol2
56. BindingDB_22433.docklog.mol2
57. protein_sampling.mol2
58. 1VJB-marked-vox.pdb
59. BindingDB_22436.frags.mol2
60. BindingDB_22433.docklog
61. BindingDB_22427.frags.mol2
62. BindingDB_22433.mol2
63. BindingDB_22428.mol2
64. BindingDB_22426.docklog
65. BindingDB_22425.frags.mol2
66. BindingDB_22436.docklog.results_tab.log
67. BindingDB_22425.docklog
68. BindingDB_20608.docklog.results_tab.log
69. log
70. BindingDB_22432.docklog.mol2
71. 1VJB.Targets
72. BindingDB_22428.docklog.mol2
73. 1VJB_sdf.mol2
74. ligand_sampling.mol2
75. BindingDB_22433.frags.mol2
76. BindingDB_22428.frags.mol2
77. 1VJB-results_tab.log
78. bdb_1VJB_OHT_3D.sdf
79. BindingDB_22430.frags.mol2
80. BindingDB_22431.docklog.results_tab.log
81. BindingDB_22436.docklog.mol2
82. BindingDB_22429.frags.mol2
83. BindingDB_22435.docklog.results_tab.log
84. 1VJB-voxthresh-10.pdb
85. 1VJB-results_BindingDB_22428.mol2
86. BindingDB_22429.docklog
87. scale
88. frag2.mol2
89. BindingDB_22426.mol2
90. BindingDB_22435.docklog
91. BindingDB_22427.docklog
92. prot.mol2
93. 1VJB-results_BindingDB_22429.mol2
94. 1VJB.pdb
95. 1VJB_sdf-log.txt
96. BindingDB_22432.docklog.results_tab.log
97. 1VJB-results_BindingDB_22435.mol2
98. 1VJB-results_BindingDB_22426.mol2
99. BindingDB_22428.docklog
100. BindingDB_22434.docklog.results_tab.log
101. BindingDB_20608.mol2
102. BindingDB_22427.mol2
103. BindingDB_22425.docklog.results_tab.log
104. 1VJB_ligand0.mol2
105. 1VJB-voxthresh-5.pdb
106. BindingDB_20608.docklog
107. BindingDB_22434.docklog
108. BindingDB_22429.docklog.results_tab.log
109. BindingDB_22435.frags.mol2
110. 1VJB.mol2
111. BindingDB_22432.mol2
112. BindingDB_22428.docklog.results_tab.log
113. 1VJB_congener.mol2
114. BindingDB_22423.docklog
115. BindingDB_22430.docklog.results_tab.log
116. 1VJB-results_BindingDB_22423.mol2
117. BindingDB_22436.docklog
118. BindingDB_22429.mol2
119. BindingDB_22426.docklog.results_tab.log
120. 1VJB-results.mol2
121. 1VJB-voxthresh-6.pdb
122. 1VJB-voxthresh-9.pdb
123. BindingDB_22431.docklog
124. frag1.mol2
125. BindingDB_22423.frags.mol2