Full input and output files for computationally docked structures of congeneric ligands similar to BDBM36385=IFL in crystal structure 2VJX

1. 2VJX-voxthresh-5.pdb
2. BindingDB_50182801.docklog.mol2
3. 2VJX-results.mol2
4. 2VJX.Targets
5. prot-log.txt
6. 2VJX_sdf.mol2
7. BindingDB_36385.docklog
8. 2VJX_ligand16.mol2
9. BindingDB_36385.mol2
10. 2VJX_ligand2.mol2
11. 2VJX.mol2
12. 2VJX-results_tab.log
13. 2VJX_ligand8.mol2
14. BindingDB_36385.docklog.results_tab.log
15. BindingDB_36385.frags.mol2
16. 2VJX_ligand24.mol2
17. 2VJX-results_BindingDB_36384.mol2
18. BindingDB_50182801.docklog.results_tab.log
19. 2VJX-voxthresh-6.pdb
20. 2VJX_ligand22.mol2
21. BindingDB_36384.mol2
22. 2VJX_water.mol2
23. 2VJX_ligand1.mol2
24. BindingDB_50182801.mol2
25. BindingDB_36383.docklog.results_tab.log
26. log-results.mol2
27. BindingDB_36383.docklog.mol2
28. BindingDB_36383.docklog
29. 2VJX_ligand15.mol2
30. IFL.sdf
31. 2VJX-results_BindingDB_36383.mol2
32. 2VJX_ligand11.mol2
33. 2VJX-marked-protein.pdb
34. 2VJX.csv
35. 2VJX-voxthresh-8.pdb
36. log-results_tab.log
37. 2VJX_ligand12.mol2
38. 2VJX.opt-protein-trim.mol2
39. 2VJX_ligand18.mol2
40. 2VJX_ligand3.mol2
41. 2VJX_ligand25.mol2
42. 2VJX_ligand7.mol2
43. 2VJX_congener.mol2
44. protein_sampling.mol2
45. 2VJX_ligand9.mol2
46. 2VJX_ligand5.mol2
47. 2VJX-voxthresh-7.pdb
48. BindingDB_36383.mol2
49. 2VJX_ligand6.mol2
50. BindingDB_36384.docklog.mol2
51. log
52. ligand_sampling.mol2
53. 2VJX-voxthresh-0.pdb
54. 2VJX_ligand13.mol2
55. bdb_2VJX_IFL_sim.txt
56. 2VJX-protomol.mol2
57. 2VJX_ligand17.mol2
58. 2VJX-voxthresh-1.pdb
59. BindingDB_36384.frags.mol2
60. 2VJX_ligand0.mol2
61. 2VJX-voxthresh-2.pdb
62. BindingDB_36384.docklog
63. 2VJX_ligand19.mol2
64. scale
65. frag2.mol2
66. 2VJX.pdb
67. prot.mol2
68. 2VJX-voxthresh-9.pdb
69. 2VJX-results_BindingDB_36385.mol2
70. 2VJX-voxthresh-10.pdb
71. BindingDB_36384.docklog.results_tab.log
72. 2VJX_ligand10.mol2
73. 2VJX-voxthresh-3.pdb
74. 2VJX_ligand14.mol2
75. 2VJX_ligand20.mol2
76. 2VJX_congener-log.txt
77. 2VJX_ligand23.mol2
78. BindingDB_50182801.docklog
79. 2VJX-marked-vox.pdb
80. bdb_2VJX_IFL_3D.sdf
81. BindingDB_36383.frags.mol2
82. 2VJX-voxthresh-4.pdb
83. 2VJX_sdf-log.txt
84. frag1.mol2
85. BindingDB_50182801.frags.mol2
86. BindingDB_36385.docklog.mol2
87. 2VJX_ligand21.mol2
88. 2VJX_ligand4.mol2