Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50304996=MK2 in crystal structure 3KC3

1. 3KC3-voxthresh-0.pdb
2. 3KC3-results_BindingDB_50304996.mol2
3. BindingDB_50304999.mol2
4. prot-log.txt
5. BindingDB_50304996.docklog.mol2
6. BindingDB_50304996.docklog.results_tab.log
7. 3KC3-results_BindingDB_50304994.mol2
8. BindingDB_50304995.docklog
9. BindingDB_50304999.frags.mol2
10. 3KC3.Targets
11. bdb_3KC3_MK2_sim.txt
12. BindingDB_50304993.docklog
13. 3KC3_ligand2.mol2
14. BindingDB_50304998.frags.mol2
15. BindingDB_50304993.docklog.results_tab.log
16. BindingDB_50304996.mol2
17. BindingDB_50304999.docklog.results_tab.log
18. BindingDB_50304993.mol2
19. 3KC3-results_tab.log
20. BindingDB_50302042.docklog.results_tab.log
21. BindingDB_50304996.docklog
22. log-results.mol2
23. 3KC3-protomol.mol2
24. 3KC3_congener-log.txt
25. 3KC3.csv
26. 3KC3-voxthresh-7.pdb
27. 3KC3-marked-protein.pdb
28. BindingDB_50304994.docklog
29. BindingDB_50304993.frags.mol2
30. 3KC3-voxthresh-3.pdb
31. 3KC3-voxthresh-5.pdb
32. 3KC3_sdf.mol2
33. 3KC3-voxthresh-4.pdb
34. log-results_tab.log
35. BindingDB_50304998.mol2
36. 3KC3.pdb
37. BindingDB_50304994.mol2
38. 3KC3_ligand0.mol2
39. protein_sampling.mol2
40. MK2.sdf
41. 3KC3-results_BindingDB_50304993.mol2
42. BindingDB_50304995.docklog.mol2
43. BindingDB_50304999.docklog.mol2
44. 3KC3_ligand1.mol2
45. log
46. BindingDB_50304995.docklog.results_tab.log
47. BindingDB_50304998.docklog
48. 3KC3_congener.mol2
49. BindingDB_50304998.docklog.mol2
50. BindingDB_50302042.docklog
51. 3KC3-voxthresh-10.pdb
52. 3KC3-voxthresh-9.pdb
53. BindingDB_50304999.docklog
54. scale
55. frag2.mol2
56. BindingDB_50304994.frags.mol2
57. prot.mol2
58. 3KC3_sdf-log.txt
59. 3KC3-results.mol2
60. 3KC3-voxthresh-2.pdb
61. BindingDB_50302042.mol2
62. 3KC3-voxthresh-8.pdb
63. BindingDB_50304994.docklog.mol2
64. BindingDB_50302042.docklog.mol2
65. 3KC3-marked-vox.pdb
66. 3KC3-voxthresh-1.pdb
67. BindingDB_50304993.docklog.mol2
68. BindingDB_50304994.docklog.results_tab.log
69. BindingDB_50304996.frags.mol2
70. BindingDB_50304995.frags.mol2
71. 3KC3_water.mol2
72. 3KC3-results_BindingDB_50304995.mol2
73. BindingDB_50304995.mol2
74. 3KC3-voxthresh-6.pdb
75. BindingDB_50304998.docklog.results_tab.log
76. bdb_3KC3_MK2_3D.sdf
77. 3KC3.mol2
78. frag1.mol2
79. 3KC3.opt-protein-trim.mol2
80. BindingDB_50302042.frags.mol2