Full input and output files for computationally docked structures of congeneric ligands similar to BDBM35181=EZR in crystal structure 3EZR

1. bdb_3EZR_EZR_sim.txt
2. 3EZR.Targets
3. BindingDB_35169.docklog.results_tab.log
4. BindingDB_35176.mol2
5. prot-log.txt
6. 3EZR-voxthresh-5.pdb
7. 3EZR-results.mol2
8. BindingDB_35179.docklog.mol2
9. 3EZR_ligand0.mol2
10. BindingDB_35181.mol2
11. 3EZR.pdb
12. BindingDB_35175.docklog.results_tab.log
13. BindingDB_35181.frags.mol2
14. BindingDB_35172.mol2
15. 3EZR_sdf-log.txt
16. BindingDB_35173.mol2
17. 3EZR_sdf.mol2
18. 3EZR-voxthresh-1.pdb
19. 3EZR-results_BindingDB_35171.mol2
20. BindingDB_35171.docklog.mol2
21. BindingDB_35169.frags.mol2
22. BindingDB_35173.docklog
23. BindingDB_35167.docklog
24. 3EZR-marked-protein.pdb
25. 3EZR-results_BindingDB_35176.mol2
26. BindingDB_35167.frags.mol2
27. BindingDB_35173.docklog.results_tab.log
28. BindingDB_35167.docklog.mol2
29. BindingDB_35178.docklog.mol2
30. BindingDB_35166.docklog
31. BindingDB_35181.docklog.mol2
32. BindingDB_35167.docklog.results_tab.log
33. BindingDB_35177.docklog.mol2
34. BindingDB_35171.mol2
35. 3EZR-protomol.mol2
36. BindingDB_35176.frags.mol2
37. BindingDB_35170.frags.mol2
38. BindingDB_35177.frags.mol2
39. 3EZR-voxthresh-2.pdb
40. log-results.mol2
41. BindingDB_35181.docklog.results_tab.log
42. 3EZR-results_BindingDB_35166.mol2
43. BindingDB_35166.docklog.mol2
44. 3EZR-voxthresh-7.pdb
45. BindingDB_35169.mol2
46. BindingDB_35166.frags.mol2
47. BindingDB_35179.mol2
48. BindingDB_35169.docklog.mol2
49. BindingDB_35167.mol2
50. 3EZR-results_BindingDB_35178.mol2
51. BindingDB_35177.docklog.results_tab.log
52. BindingDB_35172.docklog.results_tab.log
53. BindingDB_35179.docklog.results_tab.log
54. BindingDB_35177.mol2
55. 3EZR-results_tab.log
56. 3EZR-voxthresh-6.pdb
57. 3EZR-voxthresh-0.pdb
58. BindingDB_35175.docklog.mol2
59. BindingDB_35169.docklog
60. 3EZR.csv
61. 3EZR-voxthresh-8.pdb
62. EZR.sdf
63. BindingDB_35172.docklog.mol2
64. log-results_tab.log
65. 3EZR-results_BindingDB_35172.mol2
66. BindingDB_35173.frags.mol2
67. BindingDB_35166.mol2
68. BindingDB_35177.docklog
69. BindingDB_35176.docklog.mol2
70. protein_sampling.mol2
71. BindingDB_35173.docklog.mol2
72. BindingDB_35166.docklog.results_tab.log
73. BindingDB_35171.docklog.results_tab.log
74. BindingDB_35170.mol2
75. 3EZR-voxthresh-9.pdb
76. 3EZR-results_BindingDB_35167.mol2
77. BindingDB_35176.docklog.results_tab.log
78. 3EZR-results_BindingDB_35177.mol2
79. BindingDB_35178.docklog
80. 3EZR_water.mol2
81. log
82. 3EZR-results_BindingDB_35169.mol2
83. ligand_sampling.mol2
84. BindingDB_35168.frags.mol2
85. 3EZR-voxthresh-4.pdb
86. BindingDB_35174.mol2
87. 3EZR_congener-log.txt
88. 3EZR-results_BindingDB_35168.mol2
89. 3EZR-marked-vox.pdb
90. BindingDB_35172.docklog
91. BindingDB_35168.docklog
92. BindingDB_35172.frags.mol2
93. BindingDB_35174.frags.mol2
94. 3EZR-voxthresh-3.pdb
95. scale
96. frag2.mol2
97. BindingDB_35178.frags.mol2
98. 3EZR-voxthresh-10.pdb
99. prot.mol2
100. BindingDB_35170.docklog
101. 3EZR.opt-protein-trim.mol2
102. 3EZR_congener.mol2
103. BindingDB_35168.docklog.results_tab.log
104. BindingDB_35171.docklog
105. BindingDB_35181.docklog
106. 3EZR-results_BindingDB_35179.mol2
107. 3EZR-results_BindingDB_35175.mol2
108. BindingDB_35175.frags.mol2
109. 3EZR-results_BindingDB_35173.mol2
110. BindingDB_35179.frags.mol2
111. BindingDB_35171.frags.mol2
112. BindingDB_35168.mol2
113. 3EZR-results_BindingDB_35170.mol2
114. bdb_3EZR_EZR_3D.sdf
115. BindingDB_35179.docklog
116. BindingDB_35178.docklog.results_tab.log
117. BindingDB_35176.docklog
118. BindingDB_35174.docklog.mol2
119. 3EZR-results_BindingDB_35174.mol2
120. BindingDB_35168.docklog.mol2
121. 3EZR_ligand1.mol2
122. BindingDB_35170.docklog.results_tab.log
123. 3EZR-results_BindingDB_35181.mol2
124. BindingDB_35174.docklog
125. BindingDB_35174.docklog.results_tab.log
126. BindingDB_35178.mol2
127. BindingDB_35170.docklog.mol2
128. 3EZR.mol2
129. BindingDB_35175.docklog
130. frag1.mol2
131. BindingDB_35175.mol2