Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50325177=YEX in crystal structure 2YEX

1. BindingDB_50325177.frags.mol2
2. BindingDB_50379585.docklog.results_tab.log
3. 2YEX_ligand4.mol2
4. BindingDB_50379572.docklog.results_tab.log
5. BindingDB_50379573.docklog
6. 2YEX_congener-log.txt
7. 2YEX-marked-vox.pdb
8. BindingDB_50325173.docklog.mol2
9. BindingDB_50379584.docklog
10. 2YEX_ligand1.mol2
11. 2YEX_ligand0.mol2
12. prot-log.txt
13. BindingDB_50379560.frags.mol2
14. BindingDB_50379563.mol2
15. BindingDB_50379580.mol2
16. BindingDB_50379563.docklog.results_tab.log
17. BindingDB_50379565.mol2
18. 2YEX.pdb
19. BindingDB_50379563.docklog.mol2
20. BindingDB_50325173.mol2
21. BindingDB_50379570.mol2
22. 2YEX_ligand2.mol2
23. BindingDB_50379570.docklog.mol2
24. BindingDB_50379584.mol2
25. BindingDB_50379582.docklog
26. BindingDB_50379582.docklog.mol2
27. BindingDB_50379565.docklog.mol2
28. BindingDB_50379573.docklog.results_tab.log
29. 2YEX-voxthresh-2.pdb
30. BindingDB_50379564.docklog.mol2
31. 2YEX-results_tab.log
32. 2YEX-results_BindingDB_50379572.mol2
33. BindingDB_50379573.frags.mol2
34. BindingDB_50379573.docklog.mol2
35. BindingDB_50379560.docklog.results_tab.log
36. 2YEX-voxthresh-4.pdb
37. 2YEX-results_BindingDB_50379564.mol2
38. BindingDB_50379585.frags.mol2
39. 2YEX-results_BindingDB_50379582.mol2
40. BindingDB_50379565.docklog
41. 2YEX_ligand6.mol2
42. BindingDB_50325173.docklog.results_tab.log
43. BindingDB_50379572.frags.mol2
44. log-results.mol2
45. BindingDB_50325173.docklog
46. BindingDB_50379584.frags.mol2
47. BindingDB_50379572.docklog.mol2
48. 2YEX-results_BindingDB_50379584.mol2
49. 2YEX-results.mol2
50. BindingDB_50379560.mol2
51. BindingDB_50325146.docklog
52. 2YEX-voxthresh-10.pdb
53. log-results_tab.log
54. BindingDB_50325177.mol2
55. 2YEX-voxthresh-9.pdb
56. 2YEX-results_BindingDB_50379570.mol2
57. BindingDB_50379580.frags.mol2
58. BindingDB_50379585.mol2
59. BindingDB_50325177.docklog.results_tab.log
60. protein_sampling.mol2
61. BindingDB_50325171.docklog.results_tab.log
62. BindingDB_50325173.frags.mol2
63. BindingDB_50379564.frags.mol2
64. log
65. 2YEX-voxthresh-1.pdb
66. 2YEX-results_BindingDB_50325173.mol2
67. BindingDB_50379570.frags.mol2
68. 2YEX-results_BindingDB_50379565.mol2
69. BindingDB_50325171.docklog.mol2
70. BindingDB_50325146.frags.mol2
71. YEX.sdf
72. 2YEX_ligand7.mol2
73. BindingDB_50379565.docklog.results_tab.log
74. BindingDB_50325146.docklog.mol2
75. 2YEX-results_BindingDB_50379563.mol2
76. BindingDB_50379573.mol2
77. 2YEX_ligand3.mol2
78. BindingDB_50379565.frags.mol2
79. bdb_2YEX_YEX_sim.txt
80. 2YEX.csv
81. 2YEX_congener.mol2
82. BindingDB_50325171.frags.mol2
83. 2YEX-voxthresh-5.pdb
84. 2YEX-voxthresh-0.pdb
85. 2YEX-results_BindingDB_50379573.mol2
86. BindingDB_50379564.docklog
87. 2YEX-results_BindingDB_50325171.mol2
88. 2YEX-results_BindingDB_50379580.mol2
89. scale
90. BindingDB_50379582.frags.mol2
91. frag2.mol2
92. bdb_2YEX_YEX_3D.sdf
93. prot.mol2
94. BindingDB_50379584.docklog.results_tab.log
95. BindingDB_50379563.frags.mol2
96. BindingDB_50325171.docklog
97. BindingDB_50379582.mol2
98. 2YEX_sdf.mol2
99. 2YEX-voxthresh-7.pdb
100. BindingDB_50379582.docklog.results_tab.log
101. 2YEX.opt-protein-trim.mol2
102. 2YEX_sdf-log.txt
103. 2YEX.mol2
104. BindingDB_50325177.docklog.mol2
105. 2YEX_ligand5.mol2
106. 2YEX_ligand8.mol2
107. BindingDB_50325146.mol2
108. BindingDB_50379580.docklog
109. 2YEX-results_BindingDB_50379560.mol2
110. BindingDB_50325177.docklog
111. BindingDB_50379572.docklog
112. 2YEX-protomol.mol2
113. BindingDB_50379580.docklog.mol2
114. 2YEX-results_BindingDB_50325146.mol2
115. 2YEX-voxthresh-3.pdb
116. 2YEX-voxthresh-8.pdb
117. BindingDB_50379584.docklog.mol2
118. BindingDB_50325146.docklog.results_tab.log
119. BindingDB_50379572.mol2
120. 2YEX-marked-protein.pdb
121. 2YEX.Targets
122. BindingDB_50379564.mol2
123. BindingDB_50379570.docklog.results_tab.log
124. BindingDB_50379585.docklog
125. BindingDB_50379560.docklog.mol2
126. BindingDB_50379580.docklog.results_tab.log
127. BindingDB_50325171.mol2
128. 2YEX-voxthresh-6.pdb
129. BindingDB_50379585.docklog.mol2
130. BindingDB_50379564.docklog.results_tab.log
131. 2YEX-results_BindingDB_50325177.mol2
132. frag1.mol2
133. 2YEX_water.mol2
134. BindingDB_50379570.docklog
135. BindingDB_50379563.docklog
136. BindingDB_50379560.docklog