High Resolution EPR Spectroscopy - A Tool for Determining Electronic and Geometric Structure of Metalloenzymes. High resolution orientation selective pulsed EPR and END(T)OR in conjunction with computer simulation (XSophe) and computational chemistry will allow the determination of the electronic and geometric structure (distance and orientation of nuclei surrounding the metal ion(s)) of multiple redox centres in DMSOR, DorC and DMSDH to be determined. In addition pulsed ELDOR in conjunction wi ....High Resolution EPR Spectroscopy - A Tool for Determining Electronic and Geometric Structure of Metalloenzymes. High resolution orientation selective pulsed EPR and END(T)OR in conjunction with computer simulation (XSophe) and computational chemistry will allow the determination of the electronic and geometric structure (distance and orientation of nuclei surrounding the metal ion(s)) of multiple redox centres in DMSOR, DorC and DMSDH to be determined. In addition pulsed ELDOR in conjunction with molecular modelling will enable the mapping (distance and orientation) of redox centres in complex multicentered metalloproteins (DMSDH and DorC) and in protein-protein complexes (DMSOR-DorC) providing information on the pathway of electron transfer and hence the role of the pyranopterins.Read moreRead less
Cross-Entropy Methods in Complex Biological Systems. The Cross-Entropy method provides a powerful new way to find superior solutions to complicated optimisation problems in biology, ranging from better design and implementation of medical treatments to an increased understanding of complex ecosystems.
Emerging applications of advanced computational methods and discrete mathematics. Ongoing improvements in computer performance are revolutionising research in combinatorial discrete mathematics, and leading to exciting new applications in information technology and the biological and chemical sciences. As a result, substantial international research effort, both at universities and in commercial and industrial organisations, is being channelled into high-performance computation and theoretical p ....Emerging applications of advanced computational methods and discrete mathematics. Ongoing improvements in computer performance are revolutionising research in combinatorial discrete mathematics, and leading to exciting new applications in information technology and the biological and chemical sciences. As a result, substantial international research effort, both at universities and in commercial and industrial organisations, is being channelled into high-performance computation and theoretical problems in combinatorial mathematics. Our aim is to develop and apply advanced computational methods through the study of several unsolved theoretical problems in design theory and practical problems in exact matrix computation and drug design.Read moreRead less
Spatio-temporal modelling of Ras dependent MAP kinase activation. This project is at the heart of the national research priority 'Frontier Technologies for Building and Transforming Australian Industries'. Using cutting edge methods and techniques of systems biology, coupled with innovative experimental molecular cell biology we will construct and simulate mathematical models of the EGF-regulated MAP kinase pathway. The project will yield new insights into the fundamental mechanisms of cell sign ....Spatio-temporal modelling of Ras dependent MAP kinase activation. This project is at the heart of the national research priority 'Frontier Technologies for Building and Transforming Australian Industries'. Using cutting edge methods and techniques of systems biology, coupled with innovative experimental molecular cell biology we will construct and simulate mathematical models of the EGF-regulated MAP kinase pathway. The project will yield new insights into the fundamental mechanisms of cell signal transduction that drive cell division, differentiation and transformation and may enable the design of new anticancer therapies. Importantly, the modelling and simulation methods developed in the project will have a general applicability to other complex systems such as sustainable ecological systems.Read moreRead less