Prediction of protein-ligand interaction using the PASS and SPrOS algorithms

3rd scenario

Choose a combined target-ligand set for comparing the protein-ligand pair with both data types to assess the putative interaction with Binding Estimate (BE).

  • at least three carbone atoms;
  • electrically neutral molecule;
  • the single molecule, no isolated atoms;
  • molecular weight no more than 1250 Da;
  • no more than four peptide bonds;
  • Marvin JS runs in any HTML5-capable browser without any plugin. For IE, version 9 or above is needed for Marvin JS due to use of HTML5;

  • Fasta format;
  • symbols for only 20 canonical residues;
  • must contain at least 30 amino acid residues.

Choose a dataset: