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Full input and output files for computationally docked structures of congeneric ligands similar to BDBM13997=IX1 in crystal structure 1XBO
  1. BindingDB_50131548.docklog.results_tab.log
  2. BindingDB_50133280.docklog
  3. BindingDB_50106491.docklog.results_tab.log
  4. prot-log.txt
  5. BindingDB_13991.docklog.results_tab.log
  6. BindingDB_50133279.frags.mol2
  7. BindingDB_50133281.docklog.results_tab.log
  8. 1XBO.mol2
  9. 1XBO-voxthresh-5.pdb
  10. 1XBO.opt-protein-trim.mol2
  11. BindingDB_13990.mol2
  12. 1XBO-results.mol2
  13. BindingDB_50131548.docklog.mol2
  14. 1XBO-voxthresh-9.pdb
  15. BindingDB_13995.docklog.results_tab.log
  16. 1XBO-marked-protein.pdb
  17. BindingDB_13990.docklog.results_tab.log
  18. BindingDB_13992.docklog.results_tab.log
  19. BindingDB_13992.frags.mol2
  20. 1XBO-voxthresh-8.pdb
  21. 1XBO-voxthresh-4.pdb
  22. bdb_1XBO_IX1_sim.txt
  23. 1XBO-results_BindingDB_13992.mol2
  24. IX1.sdf
  25. BindingDB_50106491.mol2
  26. 1XBO-results_BindingDB_13993.mol2
  27. BindingDB_13993.docklog.mol2
  28. 1XBO-protomol.mol2
  29. 1XBO_sdf-log.txt
  30. BindingDB_13993.docklog.results_tab.log
  31. BindingDB_50131548.frags.mol2
  32. log-results.mol2
  33. BindingDB_13991.docklog
  34. 1XBO_congener-log.txt
  35. 1XBO.Targets
  36. BindingDB_13993.docklog
  37. BindingDB_13991.mol2
  38. BindingDB_13994.docklog.mol2
  39. log-results_tab.log
  40. BindingDB_13991.docklog.mol2
  41. 1XBO-results_BindingDB_13997.mol2
  42. 1XBO_congener.mol2
  43. BindingDB_50131548.docklog
  44. BindingDB_13991.frags.mol2
  45. BindingDB_50133280.docklog.mol2
  46. protein_sampling.mol2
  47. BindingDB_13990.docklog
  48. BindingDB_13990.docklog.mol2
  49. BindingDB_13997.mol2
  50. BindingDB_50212398.docklog
  51. BindingDB_13992.docklog.mol2
  52. BindingDB_13994.docklog
  53. BindingDB_13997.frags.mol2
  54. BindingDB_50133281.mol2
  55. log
  56. 1XBO.pdb
  57. 1XBO_ligand0.mol2
  58. BindingDB_50212398.docklog.mol2
  59. ligand_sampling.mol2
  60. BindingDB_13990.frags.mol2
  61. BindingDB_13995.frags.mol2
  62. BindingDB_50106491.docklog
  63. 1XBO-voxthresh-6.pdb
  64. 1XBO-voxthresh-10.pdb
  65. 1XBO-voxthresh-2.pdb
  66. BindingDB_50212398.docklog.results_tab.log
  67. 1XBO-results_BindingDB_13995.mol2
  68. BindingDB_50133281.frags.mol2
  69. BindingDB_13992.docklog
  70. BindingDB_50133279.docklog.mol2
  71. 1XBO-results_BindingDB_13991.mol2
  72. 1XBO-results_tab.log
  73. 1XBO_sdf.mol2
  74. 1XBO-results_BindingDB_13994.mol2
  75. BindingDB_50106491.docklog.mol2
  76. 1XBO_water.mol2
  77. scale
  78. frag2.mol2
  79. BindingDB_13993.frags.mol2
  80. BindingDB_50106491.frags.mol2
  81. BindingDB_50133280.docklog.results_tab.log
  82. BindingDB_50133279.docklog
  83. 1XBO-voxthresh-0.pdb
  84. prot.mol2
  85. 1XBO-voxthresh-7.pdb
  86. 1XBO-marked-vox.pdb
  87. BindingDB_50212398.frags.mol2
  88. BindingDB_13994.frags.mol2
  89. 1XBO-results_BindingDB_50133280.mol2
  90. BindingDB_50133279.docklog.results_tab.log
  91. 1XBO.csv
  92. BindingDB_13995.docklog
  93. BindingDB_50133280.mol2
  94. UnDockable.list
  95. BindingDB_13997.docklog.mol2
  96. BindingDB_50133281.docklog.mol2
  97. BindingDB_50133281.docklog
  98. BindingDB_13994.docklog.results_tab.log
  99. BindingDB_50133279.mol2
  100. BindingDB_13995.mol2
  101. 1XBO-results_BindingDB_13990.mol2
  102. BindingDB_13992.mol2
  103. BindingDB_50133280.frags.mol2
  104. BindingDB_13993.mol2
  105. BindingDB_13995.docklog.mol2
  106. 1XBO-voxthresh-3.pdb
  107. bdb_1XBO_IX1_3D.sdf
  108. BindingDB_13997.docklog
  109. 1XBO-voxthresh-1.pdb
  110. BindingDB_50212398.mol2
  111. frag1.mol2
  112. BindingDB_50131548.mol2
  113. BindingDB_13997.docklog.results_tab.log
  114. BindingDB_13994.mol2