Full input and output files for computationally docked structures of congeneric ligands similar to BDBM5515=UN4 in crystal structure 1H0V

1. 1H0V-voxthresh-10.pdb
2. BindingDB_5461.docklog
3. 1H0V-protomol.mol2
4. BindingDB_5515.frags.mol2
5. bdb_1H0V_UN4_sim.txt
6. BindingDB_5515.docklog
7. 1H0V-results_BindingDB_5469.mol2
8. BindingDB_5473.docklog.results_tab.log
9. prot-log.txt
10. BindingDB_5461.docklog.results_tab.log
11. BindingDB_5482.frags.mol2
12. BindingDB_5469.docklog.results_tab.log
13. BindingDB_5483.docklog.mol2
14. BindingDB_5483.mol2
15. 1H0V-voxthresh-6.pdb
16. BindingDB_5515.docklog.mol2
17. BindingDB_5485.docklog.results_tab.log
18. BindingDB_5464.mol2
19. BindingDB_5490.docklog.results_tab.log
20. BindingDB_5473.docklog.mol2
21. bdb_1H0V_UN4_3D.sdf
22. BindingDB_5483.docklog.results_tab.log
23. BindingDB_5490.docklog
24. BindingDB_5514.docklog
25. BindingDB_5469.frags.mol2
26. 1H0V-marked-protein.pdb
27. 1H0V-voxthresh-8.pdb
28. BindingDB_5467.mol2
29. BindingDB_5485.docklog.mol2
30. BindingDB_5513.mol2
31. BindingDB_5467.docklog.mol2
32. UN4.sdf
33. 1H0V.csv
34. BindingDB_5514.docklog.mol2
35. BindingDB_5463.mol2
36. 1H0V-voxthresh-4.pdb
37. 1H0V-results_BindingDB_5467.mol2
38. BindingDB_5483.frags.mol2
39. 1H0V-voxthresh-7.pdb
40. BindingDB_5512.mol2
41. 1H0V-results_BindingDB_5468.mol2
42. BindingDB_5489.docklog.mol2
43. BindingDB_5512.docklog.mol2
44. BindingDB_5468.docklog.mol2
45. BindingDB_5464.frags.mol2
46. log-results.mol2
47. 1H0V-voxthresh-3.pdb
48. 1H0V.pdb
49. BindingDB_5473.frags.mol2
50. BindingDB_5513.docklog.results_tab.log
51. BindingDB_5485.mol2
52. 1H0V.Targets
53. BindingDB_5463.docklog
54. 1H0V-results_BindingDB_5464.mol2
55. BindingDB_5489.mol2
56. BindingDB_5482.docklog.results_tab.log
57. 1H0V_sdf.mol2
58. BindingDB_5468.mol2
59. BindingDB_5513.docklog
60. BindingDB_5464.docklog.mol2
61. BindingDB_5468.docklog.results_tab.log
62. BindingDB_5485.docklog
63. BindingDB_5461.mol2
64. log-results_tab.log
65. BindingDB_5469.docklog.mol2
66. BindingDB_5489.frags.mol2
67. 1H0V-results_BindingDB_5473.mol2
68. BindingDB_5467.docklog
69. BindingDB_5514.mol2
70. BindingDB_5483.docklog
71. BindingDB_5468.docklog
72. BindingDB_5514.frags.mol2
73. 1H0V_congener-log.txt
74. BindingDB_5467.frags.mol2
75. BindingDB_5514.docklog.results_tab.log
76. log
77. 1H0V-results_BindingDB_5514.mol2
78. 1H0V_ligand0.mol2
79. BindingDB_5515.docklog.results_tab.log
80. ligand_sampling.mol2
81. 1H0V.opt-protein-trim.mol2
82. 1H0V-results_BindingDB_5463.mol2
83. BindingDB_5463.frags.mol2
84. 1H0V-results_BindingDB_5462.mol2
85. 1H0V.mol2
86. 1H0V-results_BindingDB_5461.mol2
87. 1H0V-marked-vox.pdb
88. BindingDB_5463.docklog.mol2
89. BindingDB_5464.docklog
90. 1H0V-voxthresh-1.pdb
91. BindingDB_5463.docklog.results_tab.log
92. 1H0V-voxthresh-0.pdb
93. BindingDB_5485.frags.mol2
94. BindingDB_5468.frags.mol2
95. scale
96. BindingDB_5515.mol2
97. frag2.mol2
98. BindingDB_5464.docklog.results_tab.log
99. prot.mol2
100. BindingDB_5482.docklog
101. BindingDB_5490.mol2
102. BindingDB_5489.docklog.results_tab.log
103. 1H0V-results_tab.log
104. BindingDB_5469.mol2
105. BindingDB_5462.docklog
106. BindingDB_5469.docklog
107. BindingDB_5462.docklog.mol2
108. BindingDB_5461.docklog.mol2
109. BindingDB_5512.frags.mol2
110. 1H0V-voxthresh-5.pdb
111. BindingDB_5462.frags.mol2
112. BindingDB_5473.mol2
113. BindingDB_5489.docklog
114. 1H0V-voxthresh-2.pdb
115. BindingDB_5490.docklog.mol2
116. 1H0V_congener.mol2
117. 1H0V_sdf-log.txt
118. BindingDB_5512.docklog
119. BindingDB_5482.mol2
120. BindingDB_5462.docklog.results_tab.log
121. BindingDB_5490.frags.mol2
122. BindingDB_5513.docklog.mol2
123. BindingDB_5513.frags.mol2
124. 1H0V_water.mol2
125. BindingDB_5467.docklog.results_tab.log
126. BindingDB_5461.frags.mol2
127. BindingDB_5482.docklog.mol2
128. 1H0V-results_BindingDB_5485.mol2
129. 1H0V-voxthresh-9.pdb
130. BindingDB_5462.mol2
131. frag1.mol2
132. 1H0V-results_BindingDB_5483.mol2
133. BindingDB_5473.docklog
134. BindingDB_5512.docklog.results_tab.log
135. 1H0V-results.mol2