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  • The Biomolecular Modelling LaboratoryA Very Brief Overview

    Knowledge of the three-dimensional structure of a biological molecule can yield a wealth of information about its mode of action and direct the systematic design of pharmaceutical agents. Consequently structural studies have had a major impact in many areas of medicine.

    The Biomolecular Modelling Laboratory employs molecular structure to assist in the ICRF objective of research into the cause, prevention, treatment and cure of cancer. Our approach is based on the use of computer algorithms to model the structures of biological molecules and their interactions.

    The key modelling areas are:

    (1) the prediction of protein structure from sequence;
    (2) the docking of molecules especially protein/protein complexes;
    (3) the relationship of structure to activity for pharmaceutical molecules.

    A variety of approaches are used to develop algorithms. The key techniques for development of algorithms in the above three modelling areas are respectively:

    (1) analysis of the structures of known protein to obtain empirical rules
    (2) better understanding and representations of energetic effects in proteins
    (3) applications of inductive logic programming

    The Laboratory aims both to develop algorithms in these areas and to apply modelling to systems studied by other groups in the ICRF.

    Published on September 16, 2012 · Filed under: Research Reagents; Tagged as: , ,
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