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Full input and output files for computationally docked structures of congeneric ligands similar to BDBM50163110=F21 in crystal structure 2G72
  1. BindingDB_50151344.mol2
  2. 2G72-marked-protein.pdb
  3. frag1.mol2
  4. 2G72-marked-vox.pdb
  5. frag2.mol2
  6. 2G72-protomol.mol2
  7. log-results_tab.log
  8. 2G72-results.mol2
  9. log-results.mol2
  10. prot-log.txt
  11. prot.mol2
  12. protein_sampling.mol2
  13. BindingDB_50163107.docklog
  14. BindingDB_50163107.docklog.mol2
  15. BindingDB_50163107.frags.mol2
  16. BindingDB_50163107.mol2
  17. BindingDB_50163110.docklog
  18. BindingDB_50151337.docklog.results_tab.log
  19. 2G72-results_BindingDB_50151337.mol2
  20. BindingDB_50151337.frags.mol2
  21. 2G72-results_BindingDB_50151338.mol2
  22. BindingDB_50151337.mol2
  23. 2G72-results_BindingDB_50151344.mol2
  24. BindingDB_50151344.docklog.results_tab.log
  25. 2G72-results_BindingDB_50163107.mol2
  26. BindingDB_50151338.docklog
  27. 2G72-results_BindingDB_50163110.mol2
  28. scale
  29. 2G72-results_tab.log
  30. 2G72-voxthresh-0.pdb
  31. 2G72-voxthresh-1.pdb
  32. BindingDB_50163110.docklog.mol2
  33. 2G72-voxthresh-10.pdb
  34. 2G72-voxthresh-2.pdb
  35. 2G72-voxthresh-3.pdb
  36. 2G72-voxthresh-4.pdb
  37. 2G72-voxthresh-5.pdb
  38. 2G72-voxthresh-6.pdb
  39. 2G72-voxthresh-7.pdb
  40. 2G72-voxthresh-8.pdb
  41. 2G72-voxthresh-9.pdb
  42. 2G72.Targets
  43. 2G72.csv
  44. 2G72.mol2
  45. BindingDB_50163110.frags.mol2
  46. 2G72.opt-protein-trim.mol2
  47. 2G72.pdb
  48. BindingDB_50163110.mol2
  49. 2G72_congener-log.txt
  50. 2G72_congener.mol2
  51. 2G72_ligand0.mol2
  52. 2G72_ligand1.mol2
  53. 2G72_sdf-log.txt
  54. 2G72_sdf.mol2
  55. 2G72_water.mol2
  56. F21.sdf
  57. BindingDB_50151337.docklog
  58. BindingDB_50151338.docklog.mol2
  59. BindingDB_50151337.docklog.mol2
  60. BindingDB_50151344.docklog.mol2
  61. BindingDB_50151338.docklog.results_tab.log
  62. BindingDB_50151344.frags.mol2
  63. BindingDB_50151338.frags.mol2
  64. bdb_2G72_F21_3D.sdf
  65. BindingDB_50151338.mol2
  66. bdb_2G72_F21_sim.txt
  67. BindingDB_50151344.docklog
  68. log
  69. BindingDB_50163107.docklog.results_tab.log
  70. BindingDB_50163110.docklog.results_tab.log