Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50350935=RX0 in crystal structure 3Q3T

1. 3Q3T-voxthresh-7.pdb
2. 3Q3T-marked-protein.pdb
3. BindingDB_50350921.mol2
4. 3Q3T-marked-vox.pdb
5. BindingDB_50350922.docklog
6. 3Q3T-protomol.mol2
7. BindingDB_50350922.mol2
8. 3Q3T-results.mol2
9. BindingDB_50350923.docklog
10. BindingDB_50350923.mol2
11. BindingDB_50350925.docklog
12. BindingDB_50350925.mol2
13. BindingDB_50350926.docklog
14. BindingDB_50350926.mol2
15. BindingDB_50350927.docklog
16. BindingDB_50350927.mol2
17. BindingDB_50350928.docklog
18. 3Q3T-voxthresh-8.pdb
19. 3Q3T-voxthresh-9.pdb
20. 3Q3T.Targets
21. frag1.mol2
22. 3Q3T_ligand1.mol2
23. 3Q3T_ligand2.mol2
24. 3Q3T_ligand3.mol2
25. 3Q3T_ligand4.mol2
26. 3Q3T_sdf-log.txt
27. 3Q3T_sdf.mol2
28. 3Q3T_water.mol2
29. BindingDB_50350920.docklog
30. BindingDB_50350920.docklog.mol2
31. BindingDB_50350920.frags.mol2
32. BindingDB_50350928.mol2
33. BindingDB_50350929.docklog
34. BindingDB_50350929.mol2
35. BindingDB_50350930.docklog
36. 3Q3T-results_BindingDB_50350934.mol2
37. 3Q3T-results_BindingDB_50350922.mol2
38. 3Q3T-results_BindingDB_50350935.mol2
39. 3Q3T-results_BindingDB_50350923.mol2
40. 3Q3T-results_tab.log
41. frag2.mol2
42. 3Q3T-results_BindingDB_50350925.mol2
43. 3Q3T-voxthresh-0.pdb
44. prot.mol2
45. 3Q3T-results_BindingDB_50350926.mol2
46. 3Q3T-voxthresh-1.pdb
47. log
48. 3Q3T-results_BindingDB_50350927.mol2
49. 3Q3T-voxthresh-2.pdb
50. prot-log.txt
51. 3Q3T-results_BindingDB_50350928.mol2
52. 3Q3T-voxthresh-3.pdb
53. scale
54. 3Q3T-results_BindingDB_50350929.mol2
55. 3Q3T_ligand0.mol2
56. 3Q3T-results_BindingDB_50350930.mol2
57. 3Q3T-voxthresh-4.pdb
58. 3Q3T-results_BindingDB_50350931.mol2
59. 3Q3T-voxthresh-5.pdb
60. 3Q3T-results_BindingDB_50350932.mol2
61. 3Q3T-voxthresh-6.pdb
62. 3Q3T-results_BindingDB_50350933.mol2
63. 3Q3T.csv
64. UnDockable.list
65. 3Q3T.mol2
66. BindingDB_50350920.mol2
67. 3Q3T.opt-protein-trim.mol2
68. RX0.sdf
69. 3Q3T.pdb
70. BindingDB_50350921.docklog
71. 3Q3T_congener-log.txt
72. BindingDB_50350930.mol2
73. 3Q3T_congener.mol2
74. BindingDB_50350931.docklog.mol2
75. BindingDB_50350931.docklog
76. BindingDB_50350920.docklog.results_tab.log
77. BindingDB_50350921.docklog.mol2
78. BindingDB_50350921.docklog.results_tab.log
79. BindingDB_50350921.frags.mol2
80. BindingDB_50350922.docklog.mol2
81. BindingDB_50350922.docklog.results_tab.log
82. BindingDB_50350922.frags.mol2
83. BindingDB_50350923.docklog.mol2
84. BindingDB_50350923.docklog.results_tab.log
85. BindingDB_50350923.frags.mol2
86. BindingDB_50350925.docklog.mol2
87. BindingDB_50350925.docklog.results_tab.log
88. BindingDB_50350925.frags.mol2
89. BindingDB_50350926.docklog.mol2
90. BindingDB_50350926.docklog.results_tab.log
91. BindingDB_50350926.frags.mol2
92. BindingDB_50350927.docklog.mol2
93. BindingDB_50350927.docklog.results_tab.log
94. BindingDB_50350927.frags.mol2
95. BindingDB_50350928.docklog.mol2
96. BindingDB_50350928.docklog.results_tab.log
97. BindingDB_50350928.frags.mol2
98. BindingDB_50350929.docklog.mol2
99. BindingDB_50350929.docklog.results_tab.log
100. BindingDB_50350929.frags.mol2
101. BindingDB_50350930.docklog.mol2
102. BindingDB_50350930.docklog.results_tab.log
103. BindingDB_50350930.frags.mol2
104. log-results_tab.log
105. BindingDB_50350931.docklog.results_tab.log
106. BindingDB_50350931.frags.mol2
107. BindingDB_50350931.mol2
108. BindingDB_50350932.docklog
109. BindingDB_50350932.docklog.mol2
110. log-results.mol2
111. BindingDB_50350932.docklog.results_tab.log
112. BindingDB_50350932.frags.mol2
113. BindingDB_50350932.mol2
114. BindingDB_50350933.docklog
115. BindingDB_50350933.docklog.mol2
116. protein_sampling.mol2
117. BindingDB_50350933.docklog.results_tab.log
118. BindingDB_50350933.frags.mol2
119. BindingDB_50350933.mol2
120. BindingDB_50350934.docklog
121. BindingDB_50350934.docklog.mol2
122. BindingDB_50350934.docklog.results_tab.log
123. BindingDB_50350934.frags.mol2
124. BindingDB_50350934.mol2
125. BindingDB_50350935.docklog
126. BindingDB_50350935.docklog.mol2
127. BindingDB_50350935.docklog.results_tab.log
128. BindingDB_50350935.frags.mol2
129. BindingDB_50350935.mol2
130. bdb_3Q3T_RX0_3D.sdf
131. bdb_3Q3T_RX0_sim.txt
132. ligand_sampling.mol2