Modelling

    The following services are available for modelling.

    • Structure-Function Studies

    Inspection of the structure and structure-based comparisons with other structures in the Protein Data Bank (PDB) for functional features.

    • Homology Modelling

    Using provided sequences, a search is carried out to identify homologous proteins with known structure in the PDB. The structures are then used as templates for homology modelling. In addition, if no structures are present in the PDB, ab initio calculations are carried out to identify potential fold of the unknown protein.

    • Protein-Ligand Docking

    Ligands are docked into known structures to provide information about ligand-binding modes and structural basis of ligand-binding affinities.

    • Design of Mutants

    Based on structural information, the design of mutants is proposed for further functional studies and better understanding of individual residues in the function of the protein.