Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50307334=IYX in crystal structure 3LC3

1. 3LC3-voxthresh-6.pdb
2. 3LC3-results_BindingDB_50307339.mol2
3. 3LC3.pdb
4. BindingDB_50307340.frags.mol2
5. prot-log.txt
6. 3LC3-results_BindingDB_50307335.mol2
7. 3LC3-results_tab.log
8. 3LC3-voxthresh-1.pdb
9. BindingDB_50307342.docklog.mol2
10. 3LC3-voxthresh-8.pdb
11. BindingDB_50307344.docklog
12. BindingDB_50307336.docklog.results_tab.log
13. BindingDB_50307344.frags.mol2
14. 3LC3-results_BindingDB_50307340.mol2
15. 3LC3-results_BindingDB_50307337.mol2
16. BindingDB_50307334.frags.mol2
17. BindingDB_50307339.docklog.mol2
18. BindingDB_50307335.frags.mol2
19. BindingDB_50307344.docklog.results_tab.log
20. BindingDB_50307351.frags.mol2
21. BindingDB_50307350.mol2
22. BindingDB_50307348.docklog.mol2
23. BindingDB_50307336.mol2
24. BindingDB_50307340.mol2
25. 3LC3-protomol.mol2
26. BindingDB_50307339.docklog
27. 3LC3_ligand0.mol2
28. BindingDB_50307348.docklog.results_tab.log
29. BindingDB_50307334.mol2
30. BindingDB_50307351.docklog.results_tab.log
31. BindingDB_50307348.docklog
32. BindingDB_50307317.mol2
33. 3LC3_congener.mol2
34. log-results.mol2
35. BindingDB_50307350.docklog
36. BindingDB_50307337.docklog.mol2
37. bdb_3LC3_IYX_3D.sdf
38. BindingDB_50307321.mol2
39. BindingDB_50307317.frags.mol2
40. 3LC3-results_BindingDB_50307342.mol2
41. 3LC3-results_BindingDB_50307321.mol2
42. BindingDB_50307321.docklog.results_tab.log
43. BindingDB_50307341.mol2
44. BindingDB_50307317.docklog.mol2
45. 3LC3-voxthresh-3.pdb
46. BindingDB_50307348.mol2
47. BindingDB_50307341.frags.mol2
48. BindingDB_50307350.docklog.mol2
49. BindingDB_50307317.docklog
50. BindingDB_50307335.docklog.results_tab.log
51. 3LC3-results_BindingDB_50307344.mol2
52. 3LC3-results_BindingDB_50307350.mol2
53. BindingDB_50307343.frags.mol2
54. log-results_tab.log
55. BindingDB_50307342.docklog.results_tab.log
56. BindingDB_50307343.docklog.results_tab.log
57. BindingDB_50307351.docklog.mol2
58. BindingDB_50307337.mol2
59. 3LC3_sdf.mol2
60. 3LC3-marked-protein.pdb
61. 3LC3-voxthresh-10.pdb
62. 3LC3_sdf-log.txt
63. protein_sampling.mol2
64. BindingDB_50307340.docklog.mol2
65. BindingDB_50307335.docklog
66. 3LC3-results.mol2
67. 3LC3-results_BindingDB_50307317.mol2
68. BindingDB_50307340.docklog.results_tab.log
69. log
70. 3LC3-voxthresh-9.pdb
71. BindingDB_50307342.mol2
72. 3LC3-voxthresh-7.pdb
73. 3LC3.csv
74. 3LC3-results_BindingDB_50307348.mol2
75. BindingDB_50307339.frags.mol2
76. 3LC3-voxthresh-2.pdb
77. 3LC3_water.mol2
78. BindingDB_50307321.docklog
79. BindingDB_50307334.docklog.results_tab.log
80. bdb_3LC3_IYX_sim.txt
81. BindingDB_50307336.frags.mol2
82. scale
83. frag2.mol2
84. BindingDB_50307341.docklog.mol2
85. prot.mol2
86. BindingDB_50307337.docklog.results_tab.log
87. 3LC3.opt-protein-trim.mol2
88. 3LC3-results_BindingDB_50307334.mol2
89. BindingDB_50307339.mol2
90. 3LC3_ligand1.mol2
91. 3LC3-voxthresh-0.pdb
92. BindingDB_50307335.docklog.mol2
93. BindingDB_50307340.docklog
94. 3LC3.mol2
95. 3LC3-results_BindingDB_50307343.mol2
96. BindingDB_50307343.docklog.mol2
97. BindingDB_50307336.docklog
98. BindingDB_50307336.docklog.mol2
99. BindingDB_50307341.docklog.results_tab.log
100. BindingDB_50307344.docklog.mol2
101. IYX.sdf
102. BindingDB_50307350.frags.mol2
103. 3LC3-voxthresh-5.pdb
104. BindingDB_50307317.docklog.results_tab.log
105. BindingDB_50307350.docklog.results_tab.log
106. BindingDB_50307335.mol2
107. BindingDB_50307348.frags.mol2
108. BindingDB_50307321.docklog.mol2
109. BindingDB_50307337.docklog
110. BindingDB_50307344.mol2
111. 3LC3.Targets
112. BindingDB_50307343.mol2
113. BindingDB_50307341.docklog
114. 3LC3-results_BindingDB_50307336.mol2
115. 3LC3-marked-vox.pdb
116. BindingDB_50307351.mol2
117. BindingDB_50307321.frags.mol2
118. BindingDB_50307342.frags.mol2
119. BindingDB_50307334.docklog
120. BindingDB_50307351.docklog
121. BindingDB_50307337.frags.mol2
122. 3LC3-voxthresh-4.pdb
123. frag1.mol2
124. 3LC3_congener-log.txt
125. BindingDB_50307342.docklog
126. BindingDB_50307343.docklog
127. BindingDB_50307339.docklog.results_tab.log
128. 3LC3-results_BindingDB_50307341.mol2
129. BindingDB_50307334.docklog.mol2