Full input and output files for computationally docked structures of congeneric ligands similar to BDBM32573=3CZ in crystal structure 3CZR

1. BindingDB_32556.frags.mol2
2. BindingDB_32573.docklog.results_tab.log
3. 3CZR-protomol.mol2
4. 3CZR-results.mol2
5. BindingDB_32557.docklog.mol2
6. BindingDB_32559.docklog.mol2
7. BindingDB_32558.docklog.results_tab.log
8. prot-log.txt
9. BindingDB_32572.docklog
10. BindingDB_32561.docklog
11. BindingDB_32560.mol2
12. BindingDB_32563.frags.mol2
13. 3CZR-results_BindingDB_32561.mol2
14. BindingDB_32564.docklog
15. BindingDB_32565.docklog
16. BindingDB_32561.docklog.mol2
17. BindingDB_32562.mol2
18. 3CZR-voxthresh-4.pdb
19. BindingDB_32556.docklog.results_tab.log
20. 3CZR-voxthresh-0.pdb
21. 3CZR-marked-protein.pdb
22. 3CZR-voxthresh-7.pdb
23. 3CZR.pdb
24. BindingDB_32571.docklog.results_tab.log
25. BindingDB_32574.docklog
26. 3CZR.csv
27. 3CZR-results_BindingDB_32565.mol2
28. BindingDB_32567.docklog
29. 3CZR_ligand1.mol2
30. 3CZR-results_tab.log
31. BindingDB_32572.frags.mol2
32. 3CZR_sdf.mol2
33. BindingDB_32573.frags.mol2
34. BindingDB_32558.frags.mol2
35. 3CZR-results_BindingDB_32567.mol2
36. BindingDB_32556.mol2
37. 3CZR-results_BindingDB_32574.mol2
38. BindingDB_32562.docklog.results_tab.log
39. 3CZR-results_BindingDB_32559.mol2
40. bdb_3CZR_3CZ_sim.txt
41. log-results.mol2
42. BindingDB_32572.docklog.results_tab.log
43. BindingDB_32560.docklog.mol2
44. BindingDB_32574.frags.mol2
45. 3CZR-results_BindingDB_32564.mol2
46. BindingDB_32559.frags.mol2
47. BindingDB_32556.docklog
48. BindingDB_32573.docklog.mol2
49. 3CZR-results_BindingDB_32560.mol2
50. 3CZR.Targets
51. BindingDB_32565.frags.mol2
52. 3CZR.opt-protein-trim.mol2
53. BindingDB_32556.docklog.mol2
54. BindingDB_32562.docklog.mol2
55. BindingDB_32563.docklog.results_tab.log
56. BindingDB_32572.mol2
57. BindingDB_32571.mol2
58. BindingDB_32560.docklog
59. 3CZR-results_BindingDB_32573.mol2
60. BindingDB_32563.docklog
61. BindingDB_32558.docklog
62. log-results_tab.log
63. BindingDB_32564.mol2
64. BindingDB_32564.docklog.results_tab.log
65. BindingDB_32559.mol2
66. 3CZR_congener-log.txt
67. BindingDB_32572.docklog.mol2
68. 3CZR-results_BindingDB_32557.mol2
69. BindingDB_32564.frags.mol2
70. BindingDB_32560.docklog.results_tab.log
71. BindingDB_32574.mol2
72. protein_sampling.mol2
73. BindingDB_32567.docklog.results_tab.log
74. BindingDB_32551.docklog.results_tab.log
75. BindingDB_32551.docklog
76. 3CZR-results_BindingDB_32551.mol2
77. BindingDB_32573.mol2
78. 3CZR-voxthresh-2.pdb
79. BindingDB_32565.docklog.mol2
80. BindingDB_32561.docklog.results_tab.log
81. log
82. BindingDB_32571.docklog
83. BindingDB_32561.mol2
84. 3CZR-voxthresh-1.pdb
85. BindingDB_32563.mol2
86. 3CZR.mol2
87. BindingDB_32565.docklog.results_tab.log
88. 3CZR_sdf-log.txt
89. BindingDB_32565.mol2
90. BindingDB_32557.docklog.results_tab.log
91. 3CZR-results_BindingDB_32562.mol2
92. 3CZR-results_BindingDB_32563.mol2
93. bdb_3CZR_3CZ_3D.sdf
94. BindingDB_32563.docklog.mol2
95. 3CZR_ligand3.mol2
96. 3CZR-results_BindingDB_32572.mol2
97. BindingDB_32561.frags.mol2
98. BindingDB_32557.docklog
99. 3CZR-voxthresh-8.pdb
100. 3CZR-voxthresh-5.pdb
101. 3CZR_congener.mol2
102. scale
103. frag2.mol2
104. BindingDB_32573.docklog
105. prot.mol2
106. BindingDB_32557.frags.mol2
107. BindingDB_32557.mol2
108. BindingDB_32574.docklog.mol2
109. BindingDB_32551.frags.mol2
110. 3CZR-marked-vox.pdb
111. 3CZR-voxthresh-9.pdb
112. BindingDB_32567.frags.mol2
113. BindingDB_32567.docklog.mol2
114. 3CZR_ligand0.mol2
115. BindingDB_32571.frags.mol2
116. BindingDB_32574.docklog.results_tab.log
117. BindingDB_32560.frags.mol2
118. 3CZR-voxthresh-3.pdb
119. BindingDB_32558.mol2
120. 3CZR_water.mol2
121. 3CZR-results_BindingDB_32571.mol2
122. BindingDB_32562.frags.mol2
123. BindingDB_32559.docklog.results_tab.log
124. BindingDB_32558.docklog.mol2
125. 3CZR-results_BindingDB_32558.mol2
126. BindingDB_32567.mol2
127. 3CZ.sdf
128. 3CZR_ligand2.mol2
129. BindingDB_32564.docklog.mol2
130. BindingDB_32571.docklog.mol2
131. 3CZR-results_BindingDB_32556.mol2
132. 3CZR-voxthresh-6.pdb
133. BindingDB_32562.docklog
134. BindingDB_32551.mol2
135. frag1.mol2
136. BindingDB_32559.docklog
137. BindingDB_32551.docklog.mol2