Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50146631=RO4 in crystal structure 2TCL

1. 2TCL-voxthresh-2.pdb
2. BindingDB_50071250.docklog
3. BindingDB_50071256.docklog.mol2
4. prot-log.txt
5. 2TCL-voxthresh-1.pdb
6. BindingDB_50071245.frags.mol2
7. RO4.sdf
8. 2TCL-voxthresh-0.pdb
9. 2TCL_ligand0.mol2
10. BindingDB_50071254.docklog.mol2
11. BindingDB_50146631.docklog.mol2
12. 2TCL.Targets
13. BindingDB_50071246.docklog.results_tab.log
14. 2TCL-voxthresh-6.pdb
15. 2TCL-results_BindingDB_50071255.mol2
16. BindingDB_50089194.mol2
17. BindingDB_50109170.frags.mol2
18. BindingDB_50071245.docklog.mol2
19. 2TCL.mol2
20. BindingDB_50089194.frags.mol2
21. BindingDB_50071253.docklog
22. 2TCL-results_BindingDB_50071251.mol2
23. BindingDB_50071251.docklog.results_tab.log
24. BindingDB_50071244.mol2
25. BindingDB_50071254.frags.mol2
26. BindingDB_50071244.docklog.results_tab.log
27. log-results.mol2
28. BindingDB_50109170.docklog.mol2
29. 2TCL-results_BindingDB_50071253.mol2
30. BindingDB_50071246.docklog
31. BindingDB_50071251.docklog.mol2
32. BindingDB_50109170.mol2
33. BindingDB_50071243.docklog
34. BindingDB_50071256.mol2
35. BindingDB_50071248.mol2
36. BindingDB_50071246.frags.mol2
37. BindingDB_50089194.docklog.results_tab.log
38. 2TCL-protomol.mol2
39. 2TCL_congener-log.txt
40. BindingDB_50071253.docklog.mol2
41. BindingDB_50071244.docklog.mol2
42. 2TCL-marked-vox.pdb
43. BindingDB_50071245.docklog
44. BindingDB_50071255.docklog.mol2
45. log-results_tab.log
46. BindingDB_50071253.mol2
47. 2TCL-results_BindingDB_50146631.mol2
48. BindingDB_50071251.frags.mol2
49. protein_sampling.mol2
50. 2TCL_sdf-log.txt
51. BindingDB_50071255.docklog.results_tab.log
52. BindingDB_50071243.docklog.results_tab.log
53. BindingDB_50071248.docklog.results_tab.log
54. 2TCL-voxthresh-8.pdb
55. BindingDB_50146631.mol2
56. BindingDB_50071250.docklog.results_tab.log
57. log
58. 2TCL-marked-protein.pdb
59. 2TCL.opt-protein-trim.mol2
60. BindingDB_50146631.docklog
61. 2TCL-results_BindingDB_50071243.mol2
62. ligand_sampling.mol2
63. BindingDB_50071251.docklog
64. 2TCL-voxthresh-4.pdb
65. BindingDB_50071255.mol2
66. 2TCL-results_BindingDB_50071250.mol2
67. BindingDB_50071245.mol2
68. BindingDB_50071255.frags.mol2
69. 2TCL-voxthresh-10.pdb
70. BindingDB_50071243.docklog.mol2
71. 2TCL_sdf.mol2
72. BindingDB_50071255.docklog
73. BindingDB_50071246.mol2
74. BindingDB_50071254.docklog.results_tab.log
75. BindingDB_50071253.frags.mol2
76. BindingDB_50071251.mol2
77. BindingDB_50071256.frags.mol2
78. BindingDB_50071244.frags.mol2
79. scale
80. BindingDB_50071250.docklog.mol2
81. frag2.mol2
82. bdb_2TCL_RO4_3D.sdf
83. 2TCL-results_BindingDB_50071245.mol2
84. prot.mol2
85. BindingDB_50071250.mol2
86. 2TCL-voxthresh-3.pdb
87. 2TCL-voxthresh-5.pdb
88. BindingDB_50071243.frags.mol2
89. BindingDB_50089194.docklog
90. BindingDB_50071248.docklog
91. 2TCL-results_BindingDB_50071244.mol2
92. BindingDB_50071245.docklog.results_tab.log
93. BindingDB_50071254.docklog
94. 2TCL.pdb
95. BindingDB_50071248.docklog.mol2
96. BindingDB_50071243.mol2
97. BindingDB_50071254.mol2
98. BindingDB_50071253.docklog.results_tab.log
99. BindingDB_50071250.frags.mol2
100. BindingDB_50071246.docklog.mol2
101. 2TCL-results_BindingDB_50109170.mol2
102. BindingDB_50071244.docklog
103. BindingDB_50071248.frags.mol2
104. 2TCL-voxthresh-9.pdb
105. 2TCL-results_tab.log
106. 2TCL-voxthresh-7.pdb
107. BindingDB_50109170.docklog.results_tab.log
108. 2TCL-results.mol2
109. 2TCL-results_BindingDB_50071248.mol2
110. BindingDB_50071256.docklog
111. 2TCL.csv
112. BindingDB_50109170.docklog
113. 2TCL_congener.mol2
114. BindingDB_50071256.docklog.results_tab.log
115. BindingDB_50146631.docklog.results_tab.log
116. 2TCL-results_BindingDB_50089194.mol2
117. frag1.mol2
118. 2TCL-results_BindingDB_50071246.mol2
119. 2TCL-results_BindingDB_50071256.mol2
120. 2TCL_water.mol2
121. BindingDB_50146631.frags.mol2
122. BindingDB_50089194.docklog.mol2
123. bdb_2TCL_RO4_sim.txt