Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50292721=PAX in crystal structure 1U1B

1. BindingDB_50310540.docklog.results_tab.log
2. BindingDB_50292724.mol2
3. prot-log.txt
4. 1U1B.opt-protein-trim.mol2
5. BindingDB_50310540.docklog.mol2
6. 1U1B_sdf.mol2
7. 1U1B-results_BindingDB_50292716.mol2
8. BindingDB_50292717.docklog
9. 1U1B-results_BindingDB_50331791.mol2
10. BindingDB_50342010.docklog.mol2
11. BindingDB_50342007.frags.mol2
12. BindingDB_50292723.mol2
13. BindingDB_50331792.docklog.mol2
14. 1U1B-results_BindingDB_50292724.mol2
15. 1U1B_congener-log.txt
16. BindingDB_50292721.docklog
17. 1U1B-results_BindingDB_50292717.mol2
18. 1U1B.csv
19. BindingDB_50118239.mol2
20. BindingDB_50292716.mol2
21. 1U1B.mol2
22. 1U1B-voxthresh-6.pdb
23. BindingDB_50118239.docklog.results_tab.log
24. BindingDB_50298711.docklog
25. BindingDB_50292724.docklog
26. BindingDB_50342008.docklog
27. BindingDB_50331792.frags.mol2
28. BindingDB_50233301.docklog.mol2
29. BindingDB_50118239.frags.mol2
30. BindingDB_50292721.frags.mol2
31. 1U1B-marked-protein.pdb
32. BindingDB_50331792.docklog.results_tab.log
33. BindingDB_50298711.docklog.mol2
34. BindingDB_50342008.frags.mol2
35. BindingDB_50292723.frags.mol2
36. 1U1B_ligand0.mol2
37. BindingDB_50331791.frags.mol2
38. log-results.mol2
39. 1U1B-voxthresh-2.pdb
40. 1U1B_water.mol2
41. 1U1B-voxthresh-7.pdb
42. BindingDB_50233301.frags.mol2
43. 1U1B.pdb
44. 1U1B-voxthresh-1.pdb
45. BindingDB_50292724.docklog.results_tab.log
46. 1U1B-voxthresh-4.pdb
47. BindingDB_50292717.mol2
48. BindingDB_50292717.frags.mol2
49. 1U1B_congener.mol2
50. PAX.sdf
51. 1U1B-voxthresh-8.pdb
52. BindingDB_50292715.frags.mol2
53. BindingDB_50331792.mol2
54. bdb_1U1B_PAX_sim.txt
55. BindingDB_50292717.docklog.results_tab.log
56. BindingDB_50298711.mol2
57. log-results_tab.log
58. BindingDB_50233301.docklog.results_tab.log
59. bdb_1U1B_PAX_3D.sdf
60. BindingDB_50292723.docklog.results_tab.log
61. BindingDB_50331792.docklog
62. BindingDB_50233301.docklog
63. 1U1B-results_BindingDB_50292721.mol2
64. protein_sampling.mol2
65. BindingDB_50310540.docklog
66. BindingDB_50292715.docklog.mol2
67. 1U1B_sdf-log.txt
68. log
69. BindingDB_50342007.docklog
70. ligand_sampling.mol2
71. 1U1B-results.mol2
72. BindingDB_50342007.docklog.mol2
73. 1U1B-voxthresh-9.pdb
74. BindingDB_50310540.frags.mol2
75. BindingDB_50342008.docklog.mol2
76. 1U1B-protomol.mol2
77. BindingDB_50292716.docklog.results_tab.log
78. BindingDB_50292716.docklog
79. 1U1B-results_BindingDB_50292723.mol2
80. BindingDB_50292717.docklog.mol2
81. BindingDB_50292723.docklog
82. BindingDB_50292716.docklog.mol2
83. BindingDB_50292716.frags.mol2
84. 1U1B-results_tab.log
85. scale
86. BindingDB_50342010.frags.mol2
87. 1U1B-marked-vox.pdb
88. frag2.mol2
89. 1U1B-results_BindingDB_50298711.mol2
90. prot.mol2
91. BindingDB_50342008.mol2
92. BindingDB_50292724.frags.mol2
93. BindingDB_50118239.docklog.mol2
94. BindingDB_50118239.docklog
95. BindingDB_50298711.frags.mol2
96. BindingDB_50292721.mol2
97. BindingDB_50331791.mol2
98. BindingDB_50292715.docklog.results_tab.log
99. BindingDB_50292721.docklog.results_tab.log
100. BindingDB_50310540.mol2
101. BindingDB_50292715.mol2
102. BindingDB_50331791.docklog
103. BindingDB_50342010.mol2
104. 1U1B-voxthresh-3.pdb
105. BindingDB_50292723.docklog.mol2
106. BindingDB_50342008.docklog.results_tab.log
107. 1U1B-results_BindingDB_50233301.mol2
108. 1U1B.Targets
109. BindingDB_50342007.docklog.results_tab.log
110. BindingDB_50342007.mol2
111. BindingDB_50331791.docklog.mol2
112. BindingDB_50331791.docklog.results_tab.log
113. 1U1B-results_BindingDB_50342008.mol2
114. BindingDB_50233301.mol2
115. BindingDB_50292721.docklog.mol2
116. BindingDB_50342010.docklog
117. 1U1B-results_BindingDB_50331792.mol2
118. 1U1B-voxthresh-5.pdb
119. BindingDB_50342010.docklog.results_tab.log
120. 1U1B-voxthresh-0.pdb
121. BindingDB_50292715.docklog
122. BindingDB_50292724.docklog.mol2
123. frag1.mol2
124. 1U1B-voxthresh-10.pdb
125. BindingDB_50298711.docklog.results_tab.log
126. 1U1B-results_BindingDB_50342007.mol2