Welcome to In silico Drug Design System

  • eMolTox
  • eMolTox is a webserver for toxicity prediction and drug safety analysis.

  • MolGpKa
  • MolGpKa is a webserver for pKa prediction using Graph-Convolutional Neural Network.

  • MolTaut
  • MolTaut is a web server for rapid generation of favorable tautomer of small molecules in aqueous solution.

  • MolSolv
  • MolSolv is a web server for aqueous solvation energy prediction.

  • MolOpt
  • MolOpt is a webserver for hit/lead optimization using bioisosteric transformation.

  • FragRep
  • FragRep is a web server for structure-based drug design by fragment replacement.

  • MolHyb
  • MolHyb is a web server for structure-based drug design by molecular hybridization.

  • FragGrow
  • FragGrow is a web server for structure-based drug design by fragment growing within constraints.

  • MacGen
  • MacGen is a web server for structure-based macrocycle design.

    Contact

    If you have any question or comments, please contact:

    Changge Ji

    Chicago.ji@gmail.com