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Full input and output files for computationally docked structures of congeneric ligands similar to BDBM24633=LZC in crystal structure 2VTS
  1. BindingDB_11429.docklog.mol2
  2. BindingDB_11431.mol2
  3. 2VTS-results_BindingDB_11430.mol2
  4. 2VTS-results_BindingDB_11429.mol2
  5. BindingDB_50388785.frags.mol2
  6. BindingDB_50388786.docklog
  7. prot-log.txt
  8. BindingDB_11434.docklog.results_tab.log
  9. BindingDB_50388785.mol2
  10. BindingDB_11429.frags.mol2
  11. BindingDB_11434.frags.mol2
  12. BindingDB_11430.docklog.results_tab.log
  13. 2VTS-protomol.mol2
  14. BindingDB_11428.docklog.results_tab.log
  15. BindingDB_11428.frags.mol2
  16. BindingDB_50388786.docklog.results_tab.log
  17. 2VTS-results_BindingDB_11441.mol2
  18. BindingDB_50388786.frags.mol2
  19. BindingDB_11436.docklog.results_tab.log
  20. BindingDB_50388785.docklog.results_tab.log
  21. BindingDB_11430.mol2
  22. BindingDB_11454.docklog.results_tab.log
  23. BindingDB_11434.docklog
  24. BindingDB_11439.mol2
  25. BindingDB_11454.mol2
  26. 2VTS-results.mol2
  27. 2VTS-voxthresh-1.pdb
  28. 2VTS.csv
  29. BindingDB_11452.docklog
  30. BindingDB_50388784.docklog
  31. BindingDB_11439.docklog
  32. BindingDB_11436.docklog.mol2
  33. BindingDB_11429.docklog
  34. BindingDB_50388786.mol2
  35. bdb_2VTS_LZC_3D.sdf
  36. 2VTS-voxthresh-2.pdb
  37. BindingDB_11430.docklog.mol2
  38. 2VTS.Targets
  39. BindingDB_50388782.docklog.results_tab.log
  40. 2VTS-voxthresh-10.pdb
  41. 2VTS-voxthresh-9.pdb
  42. BindingDB_11441.docklog.results_tab.log
  43. BindingDB_11454.docklog.mol2
  44. BindingDB_11452.docklog.mol2
  45. log-results.mol2
  46. BindingDB_11431.docklog
  47. BindingDB_11433.docklog
  48. BindingDB_11428.docklog
  49. 2VTS-results_BindingDB_24632.mol2
  50. 2VTS_congener.mol2
  51. 2VTS_sdf.mol2
  52. 2VTS.mol2
  53. 2VTS_congener-log.txt
  54. BindingDB_11436.mol2
  55. BindingDB_11436.frags.mol2
  56. BindingDB_11429.docklog.results_tab.log
  57. BindingDB_11441.frags.mol2
  58. BindingDB_11434.mol2
  59. 2VTS.pdb
  60. BindingDB_11428.docklog.mol2
  61. BindingDB_11454.frags.mol2
  62. BindingDB_24632.mol2
  63. BindingDB_11431.docklog.mol2
  64. BindingDB_11439.docklog.results_tab.log
  65. log-results_tab.log
  66. BindingDB_11433.mol2
  67. BindingDB_11432.docklog
  68. BindingDB_11454.docklog
  69. BindingDB_11440.docklog
  70. BindingDB_11430.docklog
  71. BindingDB_24632.docklog.results_tab.log
  72. BindingDB_11439.frags.mol2
  73. BindingDB_11432.mol2
  74. BindingDB_50388783.docklog.mol2
  75. 2VTS-voxthresh-0.pdb
  76. 2VTS-results_BindingDB_11436.mol2
  77. BindingDB_24632.docklog
  78. 2VTS-results_BindingDB_11428.mol2
  79. BindingDB_11433.frags.mol2
  80. BindingDB_11432.frags.mol2
  81. BindingDB_50388785.docklog
  82. BindingDB_50388785.docklog.mol2
  83. log
  84. BindingDB_50388782.docklog.mol2
  85. 2VTS-voxthresh-5.pdb
  86. BindingDB_50388784.docklog.mol2
  87. BindingDB_24632.docklog.mol2
  88. BindingDB_24633.docklog.results_tab.log
  89. BindingDB_50388784.mol2
  90. BindingDB_11452.docklog.results_tab.log
  91. 2VTS-results_BindingDB_11431.mol2
  92. 2VTS-voxthresh-4.pdb
  93. bdb_2VTS_LZC_sim.txt
  94. BindingDB_11440.docklog.results_tab.log
  95. BindingDB_11440.frags.mol2
  96. 2VTS.opt-protein-trim.mol2
  97. 2VTS-voxthresh-6.pdb
  98. scale
  99. 2VTS_water.mol2
  100. BindingDB_24633.docklog.mol2
  101. BindingDB_24632.frags.mol2
  102. frag2.mol2
  103. BindingDB_50388784.docklog.results_tab.log
  104. prot.mol2
  105. BindingDB_11452.mol2
  106. 2VTS-results_tab.log
  107. BindingDB_11434.docklog.mol2
  108. 2VTS-results_BindingDB_11433.mol2
  109. BindingDB_50388786.docklog.mol2
  110. BindingDB_50388783.mol2
  111. BindingDB_11432.docklog.results_tab.log
  112. UnDockable.list
  113. BindingDB_50388782.docklog
  114. 2VTS-results_BindingDB_11434.mol2
  115. BindingDB_11441.docklog
  116. 2VTS-marked-protein.pdb
  117. 2VTS-voxthresh-8.pdb
  118. BindingDB_11440.mol2
  119. BindingDB_11431.frags.mol2
  120. BindingDB_50388782.mol2
  121. BindingDB_11432.docklog.mol2
  122. BindingDB_24633.frags.mol2
  123. BindingDB_24633.mol2
  124. BindingDB_50388783.frags.mol2
  125. BindingDB_11436.docklog
  126. 2VTS_sdf-log.txt
  127. BindingDB_11433.docklog.results_tab.log
  128. 2VTS-marked-vox.pdb
  129. BindingDB_11431.docklog.results_tab.log
  130. BindingDB_11428.mol2
  131. BindingDB_11440.docklog.mol2
  132. 2VTS-voxthresh-7.pdb
  133. BindingDB_11433.docklog.mol2
  134. BindingDB_11429.mol2
  135. BindingDB_11441.mol2
  136. BindingDB_24633.docklog
  137. BindingDB_50388783.docklog
  138. BindingDB_50388784.frags.mol2
  139. 2VTS-results_BindingDB_24633.mol2
  140. BindingDB_11452.frags.mol2
  141. 2VTS-voxthresh-3.pdb
  142. BindingDB_11441.docklog.mol2
  143. BindingDB_11439.docklog.mol2
  144. BindingDB_50388783.docklog.results_tab.log
  145. BindingDB_11430.frags.mol2
  146. frag1.mol2
  147. LZC.sdf
  148. BindingDB_50388782.frags.mol2
  149. 2VTS_ligand0.mol2