Full input and output files for computationally docked structures of congeneric ligands similar to BDBM7127=N5B in crystal structure 1VYZ

1. BindingDB_7149.mol2
2. prot-log.txt
3. BindingDB_7137.docklog.results_tab.log
4. bdb_1VYZ_N5B_sim.txt
5. BindingDB_7142.frags.mol2
6. BindingDB_91792.frags.mol2
7. BindingDB_7140.docklog
8. BindingDB_7128.docklog.results_tab.log
9. BindingDB_7149.docklog.mol2
10. 1VYZ-results_BindingDB_7136.mol2
11. BindingDB_7136.docklog.mol2
12. 1VYZ_sdf.mol2
13. BindingDB_7127.frags.mol2
14. 1VYZ-results_BindingDB_7127.mol2
15. 1VYZ_congener.mol2
16. BindingDB_7127.docklog.results_tab.log
17. BindingDB_7134.docklog.mol2
18. BindingDB_7134.frags.mol2
19. 1VYZ-voxthresh-9.pdb
20. BindingDB_7128.mol2
21. 1VYZ-results.mol2
22. BindingDB_7128.docklog
23. 1VYZ-voxthresh-3.pdb
24. BindingDB_7138.docklog.results_tab.log
25. BindingDB_7133.docklog
26. BindingDB_7136.mol2
27. BindingDB_7140.docklog.results_tab.log
28. BindingDB_7138.mol2
29. 1VYZ-results_BindingDB_7137.mol2
30. BindingDB_7132.docklog.results_tab.log
31. BindingDB_7147.mol2
32. BindingDB_7129.docklog.results_tab.log
33. 1VYZ_congener-log.txt
34. 1VYZ-results_BindingDB_7140.mol2
35. 1VYZ-results_BindingDB_7134.mol2
36. BindingDB_7130.docklog.mol2
37. log-results.mol2
38. BindingDB_7136.docklog.results_tab.log
39. BindingDB_91792.mol2
40. BindingDB_7138.docklog.mol2
41. BindingDB_7138.docklog
42. BindingDB_7133.frags.mol2
43. 1VYZ-results_BindingDB_7128.mol2
44. N5B.sdf
45. BindingDB_7130.frags.mol2
46. BindingDB_7149.docklog.results_tab.log
47. BindingDB_7149.frags.mol2
48. BindingDB_7132.docklog.mol2
49. BindingDB_7140.frags.mol2
50. BindingDB_7131.docklog
51. BindingDB_7131.mol2
52. 1VYZ-marked-protein.pdb
53. log-results_tab.log
54. BindingDB_7137.mol2
55. BindingDB_7142.docklog
56. BindingDB_91792.docklog.results_tab.log
57. BindingDB_7132.docklog
58. 1VYZ-results_BindingDB_7133.mol2
59. BindingDB_7142.docklog.mol2
60. BindingDB_7127.docklog
61. 1VYZ-results_BindingDB_7130.mol2
62. 1VYZ-results_BindingDB_7132.mol2
63. 1VYZ-voxthresh-0.pdb
64. 1VYZ.csv
65. 1VYZ-voxthresh-4.pdb
66. BindingDB_7132.mol2
67. BindingDB_7132.frags.mol2
68. log
69. BindingDB_7136.frags.mol2
70. BindingDB_7129.docklog.mol2
71. BindingDB_7131.docklog.results_tab.log
72. 1VYZ-voxthresh-8.pdb
73. BindingDB_7142.mol2
74. BindingDB_7131.frags.mol2
75. BindingDB_7127.docklog.mol2
76. BindingDB_7128.docklog.mol2
77. 1VYZ-results_tab.log
78. BindingDB_7128.frags.mol2
79. BindingDB_7130.docklog.results_tab.log
80. 1VYZ-voxthresh-5.pdb
81. bdb_1VYZ_N5B_3D.sdf
82. BindingDB_7147.docklog
83. 1VYZ-results_BindingDB_7138.mol2
84. BindingDB_7133.docklog.mol2
85. 1VYZ.pdb
86. BindingDB_7137.frags.mol2
87. scale
88. BindingDB_7134.docklog.results_tab.log
89. frag2.mol2
90. BindingDB_7138.frags.mol2
91. BindingDB_91792.docklog
92. BindingDB_7133.docklog.results_tab.log
93. BindingDB_7136.docklog
94. prot.mol2
95. BindingDB_7137.docklog
96. 1VYZ-results_BindingDB_7131.mol2
97. 1VYZ-voxthresh-2.pdb
98. BindingDB_91792.docklog.mol2
99. BindingDB_7131.docklog.mol2
100. BindingDB_7147.docklog.results_tab.log
101. BindingDB_7129.docklog
102. 1VYZ-results_BindingDB_7129.mol2
103. BindingDB_7140.docklog.mol2
104. BindingDB_7127.mol2
105. BindingDB_7140.mol2
106. BindingDB_7130.docklog
107. BindingDB_7133.mol2
108. 1VYZ-voxthresh-6.pdb
109. 1VYZ_sdf-log.txt
110. 1VYZ_ligand0.mol2
111. BindingDB_7130.mol2
112. BindingDB_7147.docklog.mol2
113. BindingDB_7137.docklog.mol2
114. 1VYZ.mol2
115. BindingDB_7147.frags.mol2
116. 1VYZ-results_BindingDB_7142.mol2
117. BindingDB_7129.mol2
118. 1VYZ-protomol.mol2
119. 1VYZ.Targets
120. 1VYZ-voxthresh-7.pdb
121. BindingDB_7149.docklog
122. BindingDB_7134.docklog
123. 1VYZ.opt-protein-trim.mol2
124. BindingDB_7142.docklog.results_tab.log
125. BindingDB_7134.mol2
126. 1VYZ-voxthresh-1.pdb
127. frag1.mol2
128. BindingDB_7129.frags.mol2
129. 1VYZ_water.mol2
130. 1VYZ-marked-vox.pdb