Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50332173=C72 in crystal structure 3PA4

1. BindingDB_50332175.docklog.results_tab.log
2. BindingDB_50332126.docklog.results_tab.log
3. BindingDB_50332177.docklog
4. prot-log.txt
5. BindingDB_50332175.docklog
6. BindingDB_50332174.docklog.results_tab.log
7. 3PA4-results_BindingDB_50332174.mol2
8. BindingDB_50332151.docklog
9. BindingDB_50332136.docklog.results_tab.log
10. BindingDB_50332127.mol2
11. BindingDB_50332177.docklog.mol2
12. 3PA4.opt-protein-trim.mol2
13. BindingDB_50332173.docklog.mol2
14. 3PA4_sdf-log.txt
15. BindingDB_50332137.docklog.results_tab.log
16. BindingDB_50332174.frags.mol2
17. 3PA4-voxthresh-9.pdb
18. BindingDB_50332175.docklog.mol2
19. BindingDB_50332152.docklog.results_tab.log
20. 3PA4-voxthresh-6.pdb
21. BindingDB_50332136.docklog
22. BindingDB_50332137.docklog.mol2
23. 3PA4_sdf.mol2
24. BindingDB_50332136.docklog.mol2
25. BindingDB_50332177.mol2
26. BindingDB_50332151.docklog.mol2
27. BindingDB_50332137.mol2
28. BindingDB_50332148.docklog.mol2
29. C72.sdf
30. 3PA4-results_BindingDB_50332137.mol2
31. BindingDB_50332173.docklog.results_tab.log
32. BindingDB_50332175.mol2
33. BindingDB_50332127.docklog.results_tab.log
34. BindingDB_50332123.frags.mol2
35. 3PA4_ligand2.mol2
36. BindingDB_50332152.mol2
37. BindingDB_50332151.mol2
38. BindingDB_50332173.frags.mol2
39. 3PA4-results_BindingDB_50332122.mol2
40. log-results.mol2
41. 3PA4_congener-log.txt
42. 3PA4.csv
43. BindingDB_50332123.mol2
44. BindingDB_50332173.docklog
45. 3PA4-voxthresh-4.pdb
46. BindingDB_50332174.docklog
47. BindingDB_50332126.frags.mol2
48. BindingDB_50332122.docklog.results_tab.log
49. BindingDB_50332123.docklog
50. 3PA4-results_BindingDB_50332175.mol2
51. BindingDB_50332125.docklog.results_tab.log
52. bdb_3PA4_C72_3D.sdf
53. 3PA4-results_BindingDB_50332152.mol2
54. 3PA4_water.mol2
55. 3PA4.pdb
56. log-results_tab.log
57. BindingDB_50332152.docklog.mol2
58. 3PA4-results_BindingDB_50332127.mol2
59. 3PA4.Targets
60. BindingDB_50332130.frags.mol2
61. BindingDB_50332173.mol2
62. 3PA4-voxthresh-3.pdb
63. BindingDB_50332174.mol2
64. 3PA4_congener.mol2
65. BindingDB_50332122.docklog.mol2
66. BindingDB_50332123.docklog.results_tab.log
67. protein_sampling.mol2
68. 3PA4-results_BindingDB_50332123.mol2
69. BindingDB_50332125.docklog
70. 3PA4-marked-protein.pdb
71. BindingDB_50332122.frags.mol2
72. 3PA4_ligand0.mol2
73. BindingDB_50332177.docklog.results_tab.log
74. 3PA4-results_BindingDB_50332125.mol2
75. BindingDB_50332174.docklog.mol2
76. BindingDB_50332123.docklog.mol2
77. log
78. BindingDB_50332175.frags.mol2
79. bdb_3PA4_C72_sim.txt
80. BindingDB_50332177.frags.mol2
81. BindingDB_50332126.docklog.mol2
82. 3PA4_ligand3.mol2
83. BindingDB_50332159.frags.mol2
84. 3PA4-protomol.mol2
85. BindingDB_50332148.mol2
86. BindingDB_50332127.docklog.mol2
87. 3PA4-results_BindingDB_50332173.mol2
88. BindingDB_50332125.mol2
89. BindingDB_50332148.frags.mol2
90. 3PA4-results_BindingDB_50332148.mol2
91. BindingDB_50332159.docklog
92. 3PA4-voxthresh-5.pdb
93. BindingDB_50332130.docklog
94. BindingDB_50332122.docklog
95. scale
96. BindingDB_50332148.docklog
97. frag2.mol2
98. BindingDB_50332159.mol2
99. prot.mol2
100. 3PA4.mol2
101. 3PA4-results_BindingDB_50332151.mol2
102. BindingDB_50332126.mol2
103. 3PA4-voxthresh-2.pdb
104. 3PA4-results_BindingDB_50332159.mol2
105. BindingDB_50332151.frags.mol2
106. BindingDB_50332130.docklog.mol2
107. BindingDB_50332136.mol2
108. 3PA4-voxthresh-1.pdb
109. BindingDB_50332126.docklog
110. BindingDB_50332127.docklog
111. 3PA4-results_BindingDB_50332126.mol2
112. BindingDB_50332159.docklog.mol2
113. BindingDB_50332151.docklog.results_tab.log
114. 3PA4-results_BindingDB_50332130.mol2
115. BindingDB_50332137.docklog
116. BindingDB_50332159.docklog.results_tab.log
117. BindingDB_50332122.mol2
118. 3PA4-results_tab.log
119. 3PA4-voxthresh-0.pdb
120. BindingDB_50332136.frags.mol2
121. 3PA4-voxthresh-7.pdb
122. BindingDB_50332148.docklog.results_tab.log
123. 3PA4-voxthresh-8.pdb
124. BindingDB_50332125.docklog.mol2
125. BindingDB_50332130.mol2
126. BindingDB_50332130.docklog.results_tab.log
127. BindingDB_50332152.docklog
128. BindingDB_50332137.frags.mol2
129. BindingDB_50332127.frags.mol2
130. 3PA4_ligand1.mol2
131. 3PA4-marked-vox.pdb
132. BindingDB_50332152.frags.mol2
133. frag1.mol2
134. BindingDB_50332125.frags.mol2
135. 3PA4-results.mol2