Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50292723=U2P in crystal structure 1O0M

1. U2P.sdf
2. BindingDB_50310540.docklog.results_tab.log
3. BindingDB_50292718.frags.mol2
4. BindingDB_50292724.mol2
5. 1O0M-results_BindingDB_50292717.mol2
6. prot-log.txt
7. 1O0M_sdf-log.txt
8. 1O0M-results_BindingDB_50292718.mol2
9. 1O0M-protomol.mol2
10. BindingDB_50310540.docklog.mol2
11. BindingDB_50292720.docklog.results_tab.log
12. BindingDB_50292719.docklog.mol2
13. 1O0M-results_tab.log
14. 1O0M-marked-protein.pdb
15. BindingDB_50292717.docklog
16. BindingDB_50342010.docklog.mol2
17. BindingDB_50292723.mol2
18. BindingDB_50331792.docklog.mol2
19. BindingDB_50292721.docklog
20. 1O0M-results_BindingDB_50292719.mol2
21. BindingDB_50292718.mol2
22. 1O0M.pdb
23. BindingDB_50292720.docklog.mol2
24. BindingDB_50292718.docklog.results_tab.log
25. BindingDB_50292720.mol2
26. BindingDB_50118239.mol2
27. 1O0M-results_BindingDB_50331792.mol2
28. BindingDB_50292722.docklog.results_tab.log
29. BindingDB_50342006.mol2
30. BindingDB_50292722.mol2
31. 1O0M-marked-vox.pdb
32. 1O0M_congener-log.txt
33. bdb_1O0M_U2P_sim.txt
34. BindingDB_50118239.docklog.results_tab.log
35. BindingDB_50292724.docklog
36. bdb_1O0M_U2P_3D.sdf
37. BindingDB_50331792.frags.mol2
38. BindingDB_50233301.docklog.mol2
39. BindingDB_50118239.frags.mol2
40. BindingDB_50292721.frags.mol2
41. BindingDB_50292719.docklog.results_tab.log
42. BindingDB_50331792.docklog.results_tab.log
43. BindingDB_50292723.frags.mol2
44. 1O0M.Targets
45. log-results.mol2
46. BindingDB_50292722.docklog.mol2
47. BindingDB_50233301.frags.mol2
48. BindingDB_50292724.docklog.results_tab.log
49. BindingDB_50292717.mol2
50. BindingDB_50292717.frags.mol2
51. 1O0M.opt-protein-trim.mol2
52. 1O0M-results_BindingDB_50233301.mol2
53. BindingDB_50342006.docklog.results_tab.log
54. BindingDB_50292715.frags.mol2
55. 1O0M-results_BindingDB_50118239.mol2
56. BindingDB_50331792.mol2
57. BindingDB_50292718.docklog.mol2
58. BindingDB_50292717.docklog.results_tab.log
59. 1O0M_ligand0.mol2
60. log-results_tab.log
61. BindingDB_50233301.docklog.results_tab.log
62. BindingDB_50292723.docklog.results_tab.log
63. 1O0M-voxthresh-9.pdb
64. BindingDB_50342006.frags.mol2
65. BindingDB_50331792.docklog
66. 1O0M-voxthresh-5.pdb
67. 1O0M-results_BindingDB_50292720.mol2
68. BindingDB_50233301.docklog
69. protein_sampling.mol2
70. BindingDB_50310540.docklog
71. BindingDB_50292715.docklog.mol2
72. 1O0M-results_BindingDB_50342006.mol2
73. BindingDB_50292720.frags.mol2
74. 1O0M-results_BindingDB_50292722.mol2
75. log
76. BindingDB_50292719.mol2
77. ligand_sampling.mol2
78. BindingDB_50342006.docklog.mol2
79. BindingDB_50310540.frags.mol2
80. BindingDB_50292719.frags.mol2
81. BindingDB_50292722.docklog
82. BindingDB_50292717.docklog.mol2
83. BindingDB_50292723.docklog
84. 1O0M_water.mol2
85. 1O0M-results.mol2
86. BindingDB_50292719.docklog
87. 1O0M.csv
88. BindingDB_50292720.docklog
89. scale
90. BindingDB_50342010.frags.mol2
91. frag2.mol2
92. 1O0M-voxthresh-6.pdb
93. prot.mol2
94. BindingDB_50292722.frags.mol2
95. BindingDB_50292724.frags.mol2
96. BindingDB_50118239.docklog.mol2
97. BindingDB_50118239.docklog
98. 1O0M-voxthresh-1.pdb
99. 1O0M-results_BindingDB_50292724.mol2
100. BindingDB_50292721.mol2
101. BindingDB_50292715.docklog.results_tab.log
102. BindingDB_50292721.docklog.results_tab.log
103. BindingDB_50310540.mol2
104. BindingDB_50292715.mol2
105. BindingDB_50342010.mol2
106. 1O0M-results_BindingDB_50292715.mol2
107. BindingDB_50292723.docklog.mol2
108. 1O0M-voxthresh-8.pdb
109. 1O0M-voxthresh-4.pdb
110. 1O0M-results_BindingDB_50292723.mol2
111. BindingDB_50233301.mol2
112. 1O0M-voxthresh-0.pdb
113. BindingDB_50292721.docklog.mol2
114. BindingDB_50342010.docklog
115. 1O0M_congener.mol2
116. 1O0M-voxthresh-7.pdb
117. BindingDB_50342010.docklog.results_tab.log
118. 1O0M-voxthresh-3.pdb
119. BindingDB_50292715.docklog
120. BindingDB_50342006.docklog
121. 1O0M-voxthresh-2.pdb
122. BindingDB_50292724.docklog.mol2
123. frag1.mol2
124. BindingDB_50292718.docklog
125. 1O0M_sdf.mol2
126. 1O0M.mol2