Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50195206=373 in crystal structure 2HXQ

1. 2HXQ-results_tab.log
2. 373.sdf
3. BindingDB_50195211.docklog
4. BindingDB_50195199.docklog.mol2
5. 2HXQ-results_BindingDB_50195202.mol2
6. prot-log.txt
7. BindingDB_50195196.docklog.mol2
8. BindingDB_50195198.docklog.results_tab.log
9. BindingDB_50195198.docklog.mol2
10. 2HXQ-voxthresh-9.pdb
11. 2HXQ-voxthresh-1.pdb
12. BindingDB_50195198.mol2
13. BindingDB_50195208.frags.mol2
14. BindingDB_50195196.docklog.results_tab.log
15. 2HXQ-voxthresh-6.pdb
16. BindingDB_50195212.frags.mol2
17. 2HXQ-voxthresh-8.pdb
18. BindingDB_50195214.docklog.results_tab.log
19. 2HXQ.pdb
20. BindingDB_50195214.docklog
21. 2HXQ_ligand0.mol2
22. 2HXQ-voxthresh-7.pdb
23. BindingDB_50195208.mol2
24. BindingDB_50195208.docklog
25. 2HXQ-voxthresh-5.pdb
26. BindingDB_50195198.frags.mol2
27. BindingDB_50195206.docklog
28. BindingDB_50195212.docklog
29. BindingDB_50195206.docklog.mol2
30. 2HXQ_congener.mol2
31. BindingDB_50195214.frags.mol2
32. BindingDB_50195196.frags.mol2
33. 2HXQ-marked-vox.pdb
34. BindingDB_50195202.frags.mol2
35. BindingDB_50195213.docklog.mol2
36. 2HXQ-marked-protein.pdb
37. BindingDB_50195219.docklog.mol2
38. 2HXQ_congener-log.txt
39. BindingDB_50195207.mol2
40. log-results.mol2
41. BindingDB_50195207.docklog.mol2
42. BindingDB_50195212.mol2
43. BindingDB_50195209.mol2
44. BindingDB_50195207.docklog
45. BindingDB_50195203.docklog.results_tab.log
46. 2HXQ-results_BindingDB_50195212.mol2
47. BindingDB_50195202.docklog
48. 2HXQ.mol2
49. BindingDB_50195202.mol2
50. 2HXQ-results.mol2
51. 2HXQ-results_BindingDB_50195203.mol2
52. BindingDB_50195211.docklog.results_tab.log
53. 2HXQ_sdf.mol2
54. 2HXQ.csv
55. 2HXQ-voxthresh-0.pdb
56. BindingDB_50195213.frags.mol2
57. BindingDB_50195202.docklog.results_tab.log
58. BindingDB_50195213.docklog
59. log-results_tab.log
60. BindingDB_50195196.mol2
61. 2HXQ-voxthresh-4.pdb
62. BindingDB_50195202.docklog.mol2
63. BindingDB_50195219.docklog.results_tab.log
64. BindingDB_50195207.frags.mol2
65. 2HXQ-results_BindingDB_50195198.mol2
66. protein_sampling.mol2
67. 2HXQ-voxthresh-3.pdb
68. BindingDB_50195216.docklog.mol2
69. BindingDB_50195203.frags.mol2
70. BindingDB_50195209.docklog
71. BindingDB_50195211.mol2
72. BindingDB_50195208.docklog.mol2
73. BindingDB_50195206.docklog.results_tab.log
74. BindingDB_50195196.docklog
75. log
76. BindingDB_50195203.docklog.mol2
77. BindingDB_50195203.docklog
78. 2HXQ-results_BindingDB_50195207.mol2
79. 2HXQ.opt-protein-trim.mol2
80. BindingDB_50195212.docklog.mol2
81. BindingDB_50195199.docklog
82. BindingDB_50195216.docklog
83. 2HXQ-protomol.mol2
84. BindingDB_50195216.docklog.results_tab.log
85. BindingDB_50195203.mol2
86. BindingDB_50195209.docklog.mol2
87. BindingDB_50195211.docklog.mol2
88. BindingDB_50195199.docklog.results_tab.log
89. BindingDB_50195206.frags.mol2
90. BindingDB_50195216.frags.mol2
91. BindingDB_50195209.docklog.results_tab.log
92. scale
93. frag2.mol2
94. BindingDB_50195219.docklog
95. BindingDB_50195213.docklog.results_tab.log
96. prot.mol2
97. BindingDB_50195213.mol2
98. BindingDB_50195199.mol2
99. BindingDB_50195219.mol2
100. 2HXQ-voxthresh-2.pdb
101. BindingDB_50195206.mol2
102. BindingDB_50195211.frags.mol2
103. BindingDB_50195208.docklog.results_tab.log
104. BindingDB_50195214.mol2
105. BindingDB_50195198.docklog
106. bdb_2HXQ_373_sim.txt
107. BindingDB_50195209.frags.mol2
108. BindingDB_50195207.docklog.results_tab.log
109. 2HXQ_water.mol2
110. BindingDB_50195212.docklog.results_tab.log
111. 2HXQ-results_BindingDB_50195209.mol2
112. BindingDB_50195216.mol2
113. 2HXQ-results_BindingDB_50195206.mol2
114. 2HXQ-voxthresh-10.pdb
115. BindingDB_50195214.docklog.mol2
116. 2HXQ_sdf-log.txt
117. BindingDB_50195199.frags.mol2
118. BindingDB_50195219.frags.mol2
119. bdb_2HXQ_373_3D.sdf
120. frag1.mol2
121. 2HXQ.Targets