SERVER FOR COMPUTING/PREDICTING DEPTH, CAVITY SIZES, LIGAND BNDING SITES AND pKa


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Contacts
Small molecule binding cavity prediction
pKa prediction
Cavity detection


Small Molecule Binding Site Prediction Benchmark

Matthew's Correlation Coefficient
Single Chain PDBsMulti Chain PDBsEntire Testing Set
DLPSD*C*DLPSD*C*DLPSD*C*
0.440.530.480.470.550.530.390.370.370.380.470.490.390.400.390.390.500.51
  • D: DEPTH
  • L: LIGSITE
  • P: Pocket-Finder
  • S: SURFNET
  • D*: DEPTH
  • C*: ConCavity
  • *: denotes with methods incorporating evolutionary information