Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50243262=X8D in crystal structure 2X8D

1. 2X8D_water.mol2
2. BindingDB_50220903.docklog.mol2
3. 2X8D-results_BindingDB_50325170.mol2
4. BindingDB_50325165.mol2
5. BindingDB_50325170.docklog.mol2
6. BindingDB_50325159.docklog
7. prot-log.txt
8. BindingDB_50220903.docklog.results_tab.log
9. BindingDB_50220909.frags.mol2
10. BindingDB_50243262.docklog
11. BindingDB_50325170.frags.mol2
12. BindingDB_50220896.frags.mol2
13. BindingDB_50325144.docklog.mol2
14. BindingDB_50325143.frags.mol2
15. 2X8D-results_BindingDB_50325168.mol2
16. 2X8D-voxthresh-4.pdb
17. BindingDB_50220904.docklog.mol2
18. BindingDB_50243262.frags.mol2
19. BindingDB_50220904.mol2
20. 2X8D_ligand0.mol2
21. BindingDB_50220896.docklog.mol2
22. 2X8D-results_BindingDB_50325159.mol2
23. 2X8D-results_tab.log
24. BindingDB_50220904.docklog
25. BindingDB_50325169.docklog.mol2
26. BindingDB_50220891.docklog
27. BindingDB_50379571.docklog.results_tab.log
28. 2X8D_congener-log.txt
29. 2X8D-marked-protein.pdb
30. BindingDB_50325144.mol2
31. 2X8D-marked-vox.pdb
32. BindingDB_50325165.docklog.results_tab.log
33. 2X8D-results_BindingDB_50325167.mol2
34. 2X8D_ligand1.mol2
35. BindingDB_50220909.docklog.mol2
36. X8D.sdf
37. 2X8D-voxthresh-9.pdb
38. 2X8D-voxthresh-1.pdb
39. log-results.mol2
40. BindingDB_50325167.docklog.mol2
41. BindingDB_50325143.docklog.mol2
42. BindingDB_50325168.frags.mol2
43. BindingDB_50220904.docklog.results_tab.log
44. BindingDB_50243262.mol2
45. BindingDB_50220909.docklog
46. BindingDB_50325172.docklog.results_tab.log
47. 2X8D-results_BindingDB_50325172.mol2
48. 2X8D-voxthresh-2.pdb
49. BindingDB_50325144.docklog.results_tab.log
50. BindingDB_50243262.docklog.results_tab.log
51. 2X8D_sdf-log.txt
52. BindingDB_50325160.docklog
53. BindingDB_50325166.frags.mol2
54. 2X8D.Targets
55. BindingDB_50325169.docklog.results_tab.log
56. BindingDB_50220891.mol2
57. 2X8D-voxthresh-8.pdb
58. BindingDB_50325145.frags.mol2
59. BindingDB_50325167.mol2
60. 2X8D.csv
61. BindingDB_50325167.frags.mol2
62. BindingDB_50220909.docklog.results_tab.log
63. BindingDB_50325170.mol2
64. BindingDB_50325160.docklog.mol2
65. log-results_tab.log
66. 2X8D-voxthresh-0.pdb
67. BindingDB_50325167.docklog.results_tab.log
68. 2X8D-results_BindingDB_50325143.mol2
69. BindingDB_50325169.docklog
70. BindingDB_50220896.docklog.results_tab.log
71. 2X8D-results_BindingDB_50325145.mol2
72. BindingDB_50325165.frags.mol2
73. BindingDB_50325160.docklog.results_tab.log
74. BindingDB_50325170.docklog.results_tab.log
75. BindingDB_50325145.docklog.mol2
76. BindingDB_50220909.mol2
77. protein_sampling.mol2
78. BindingDB_50325171.docklog.results_tab.log
79. BindingDB_50325169.frags.mol2
80. 2X8D-results_BindingDB_50325144.mol2
81. BindingDB_50379571.docklog
82. BindingDB_50220903.mol2
83. BindingDB_50379571.docklog.mol2
84. BindingDB_50325166.docklog.results_tab.log
85. BindingDB_50325143.mol2
86. BindingDB_50325168.docklog.results_tab.log
87. 2X8D_congener.mol2
88. BindingDB_50325172.frags.mol2
89. 2X8D-results.mol2
90. 2X8D.opt-protein-trim.mol2
91. BindingDB_50325160.mol2
92. log
93. bdb_2X8D_X8D_3D.sdf
94. BindingDB_50325165.docklog
95. BindingDB_50325143.docklog.results_tab.log
96. BindingDB_50325168.docklog.mol2
97. 2X8D-results_BindingDB_50325171.mol2
98. BindingDB_50325170.docklog
99. BindingDB_50325159.mol2
100. BindingDB_50325171.docklog.mol2
101. 2X8D-voxthresh-7.pdb
102. 2X8D-voxthresh-6.pdb
103. 2X8D-results_BindingDB_50325165.mol2
104. BindingDB_50220896.docklog
105. BindingDB_50325168.mol2
106. BindingDB_50220903.frags.mol2
107. 2X8D.pdb
108. BindingDB_50325171.frags.mol2
109. 2X8D-voxthresh-5.pdb
110. 2X8D-voxthresh-3.pdb
111. scale
112. frag2.mol2
113. prot.mol2
114. BindingDB_50325143.docklog
115. BindingDB_50220891.frags.mol2
116. BindingDB_50325171.docklog
117. BindingDB_50325160.frags.mol2
118. BindingDB_50325165.docklog.mol2
119. bdb_2X8D_X8D_sim.txt
120. 2X8D.mol2
121. BindingDB_50325145.mol2
122. BindingDB_50325172.mol2
123. BindingDB_50220891.docklog.mol2
124. 2X8D-results_BindingDB_50325160.mol2
125. BindingDB_50325145.docklog.results_tab.log
126. BindingDB_50325144.docklog
127. BindingDB_50325166.mol2
128. BindingDB_50379571.mol2
129. BindingDB_50220903.docklog
130. BindingDB_50325168.docklog
131. 2X8D-protomol.mol2
132. BindingDB_50325172.docklog.mol2
133. 2X8D-results_BindingDB_50325166.mol2
134. 2X8D_ligand2.mol2
135. BindingDB_50325144.frags.mol2
136. BindingDB_50220891.docklog.results_tab.log
137. BindingDB_50325159.docklog.mol2
138. BindingDB_50243262.docklog.mol2
139. BindingDB_50325172.docklog
140. BindingDB_50379571.frags.mol2
141. BindingDB_50325159.frags.mol2
142. 2X8D-results_BindingDB_50325169.mol2
143. BindingDB_50325166.docklog
144. 2X8D_sdf.mol2
145. BindingDB_50325171.mol2
146. 2X8D-results_BindingDB_50243262.mol2
147. BindingDB_50325166.docklog.mol2
148. BindingDB_50220904.frags.mol2
149. BindingDB_50325145.docklog
150. frag1.mol2
151. BindingDB_50220896.mol2
152. BindingDB_50325159.docklog.results_tab.log
153. BindingDB_50325167.docklog
154. BindingDB_50325169.mol2