Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50118239=UDP in crystal structure 3DXH

1. BindingDB_50310540.docklog.results_tab.log
2. BindingDB_50292718.frags.mol2
3. 3DXH-results_BindingDB_50331792.mol2
4. BindingDB_50292724.mol2
5. prot-log.txt
6. 3DXH-results_tab.log
7. BindingDB_50310540.docklog.mol2
8. BindingDB_50292720.docklog.results_tab.log
9. BindingDB_50292719.docklog.mol2
10. 3DXH-results_BindingDB_50292723.mol2
11. 3DXH_congener-log.txt
12. 3DXH-voxthresh-10.pdb
13. 3DXH_water.mol2
14. BindingDB_50342010.docklog.mol2
15. BindingDB_50292723.mol2
16. BindingDB_50331792.docklog.mol2
17. BindingDB_50292721.docklog
18. BindingDB_50292718.mol2
19. 3DXH-results_BindingDB_50310540.mol2
20. BindingDB_50292720.docklog.mol2
21. BindingDB_50292718.docklog.results_tab.log
22. BindingDB_50292720.mol2
23. BindingDB_50118239.mol2
24. BindingDB_50342006.mol2
25. 3DXH-voxthresh-4.pdb
26. BindingDB_50118239.docklog.results_tab.log
27. BindingDB_50298711.docklog
28. 3DXH.csv
29. BindingDB_50292724.docklog
30. BindingDB_50331792.frags.mol2
31. BindingDB_50233301.docklog.mol2
32. BindingDB_50118239.frags.mol2
33. BindingDB_50292721.frags.mol2
34. BindingDB_50292719.docklog.results_tab.log
35. BindingDB_50331792.docklog.results_tab.log
36. 3DXH-voxthresh-0.pdb
37. BindingDB_50298711.docklog.mol2
38. BindingDB_50292723.frags.mol2
39. log-results.mol2
40. BindingDB_50233301.frags.mol2
41. BindingDB_50292724.docklog.results_tab.log
42. 3DXH-voxthresh-8.pdb
43. 3DXH.mol2
44. 3DXH-results_BindingDB_50292719.mol2
45. 3DXH-results_BindingDB_50292720.mol2
46. 3DXH-marked-protein.pdb
47. 3DXH-voxthresh-1.pdb
48. 3DXH-results_BindingDB_50292715.mol2
49. BindingDB_50342006.docklog.results_tab.log
50. BindingDB_50292715.frags.mol2
51. BindingDB_50331792.mol2
52. BindingDB_50292718.docklog.mol2
53. 3DXH-voxthresh-3.pdb
54. 3DXH-results_BindingDB_50342006.mol2
55. BindingDB_50298711.mol2
56. log-results_tab.log
57. BindingDB_50233301.docklog.results_tab.log
58. BindingDB_50292723.docklog.results_tab.log
59. BindingDB_50342006.frags.mol2
60. BindingDB_50331792.docklog
61. 3DXH_ligand1.mol2
62. 3DXH_ligand0.mol2
63. 3DXH-voxthresh-9.pdb
64. BindingDB_50233301.docklog
65. 3DXH.opt-protein-trim.mol2
66. 3DXH-protomol.mol2
67. protein_sampling.mol2
68. BindingDB_50310540.docklog
69. BindingDB_50292715.docklog.mol2
70. 3DXH-results.mol2
71. 3DXH-voxthresh-7.pdb
72. bdb_3DXH_UDP_3D.sdf
73. BindingDB_50292720.frags.mol2
74. log
75. BindingDB_50292719.mol2
76. ligand_sampling.mol2
77. BindingDB_50342006.docklog.mol2
78. BindingDB_50310540.frags.mol2
79. 3DXH-results_BindingDB_50292721.mol2
80. BindingDB_50292719.frags.mol2
81. 3DXH.Targets
82. 3DXH-voxthresh-2.pdb
83. BindingDB_50292723.docklog
84. BindingDB_50292719.docklog
85. BindingDB_50292720.docklog
86. scale
87. BindingDB_50342010.frags.mol2
88. frag2.mol2
89. prot.mol2
90. BindingDB_50292724.frags.mol2
91. BindingDB_50118239.docklog.mol2
92. bdb_3DXH_UDP_sim.txt
93. 3DXH-voxthresh-6.pdb
94. BindingDB_50118239.docklog
95. 3DXH-voxthresh-5.pdb
96. BindingDB_50298711.frags.mol2
97. BindingDB_50292721.mol2
98. BindingDB_50292715.docklog.results_tab.log
99. BindingDB_50292721.docklog.results_tab.log
100. BindingDB_50310540.mol2
101. BindingDB_50292715.mol2
102. 3DXH_sdf.mol2
103. 3DXH-results_BindingDB_50298711.mol2
104. BindingDB_50342010.mol2
105. 3DXH_congener.mol2
106. BindingDB_50292723.docklog.mol2
107. UDP.sdf
108. BindingDB_50233301.mol2
109. BindingDB_50292721.docklog.mol2
110. BindingDB_50342010.docklog
111. BindingDB_50342010.docklog.results_tab.log
112. 3DXH.pdb
113. BindingDB_50292715.docklog
114. 3DXH-marked-vox.pdb
115. 3DXH-results_BindingDB_50118239.mol2
116. BindingDB_50342006.docklog
117. 3DXH-results_BindingDB_50292724.mol2
118. 3DXH-results_BindingDB_50292718.mol2
119. BindingDB_50292724.docklog.mol2
120. frag1.mol2
121. BindingDB_50292718.docklog
122. BindingDB_50298711.docklog.results_tab.log
123. 3DXH_sdf-log.txt