Australian Laureate Fellowships - Grant ID: FL0992247
Funder
Australian Research Council
Funding Amount
$2,988,295.00
Summary
Advances at the frontiers of subatomic physics and cross-disciplinary applications of the associated techniques. The candidate is an international scientific leader, in terms of his own research, his responsibilities within the United States Department of Energy (DoE) and his role as Chair of the International Union of Pure and Applied Physics (IUPAP) Working Group on International Cooperation in Nuclear Physics. His return to South Australia to establish a major new research centre in the physi ....Advances at the frontiers of subatomic physics and cross-disciplinary applications of the associated techniques. The candidate is an international scientific leader, in terms of his own research, his responsibilities within the United States Department of Energy (DoE) and his role as Chair of the International Union of Pure and Applied Physics (IUPAP) Working Group on International Cooperation in Nuclear Physics. His return to South Australia to establish a major new research centre in the physical sciences will dramatically enhance the State's reputation in science and engineering, an essential component of its contribution to the nation's defence. It will underline Australia's commitment to contribute its share to advancing fundamental science. The involvement of senior researchers from fields as diverse as applied optics and mathematical biology will ensure that the opportunities for cross-disciplinary research are fully exploited.Read moreRead less
TOWARDS A COMPLETE DESCRIPTION OF HOW ENZYMES WORK: development of simulation methods and protocols, blind test predictions, and experimental validation. Enzymes catalyze quite fantastic chemistry under mild physiological conditions. Many special chemical concepts (such as "transition-state stabilization" and "entropy-enthalpy compensation") proposed to explain these powers are unnecessary. Uniquely for a catalyst, these powers are integral to the structure, properties and dynamics of the protei ....TOWARDS A COMPLETE DESCRIPTION OF HOW ENZYMES WORK: development of simulation methods and protocols, blind test predictions, and experimental validation. Enzymes catalyze quite fantastic chemistry under mild physiological conditions. Many special chemical concepts (such as "transition-state stabilization" and "entropy-enthalpy compensation") proposed to explain these powers are unnecessary. Uniquely for a catalyst, these powers are integral to the structure, properties and dynamics of the protein, as constrained and selected by evolution. The question is how do they work? Answering this requires energetic and thermodynamic analysis beyond current experimental techniques, but accessible by computer simulation. We aim to develop a robust toolkit of simulation methods and protocols, blind test them by predicting the mechanism of a new enzyme, with followup experimental validation.
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Importance of conformational and electrostatic contributions in simulations of enzyme reaction mechanisms. The research will contribute to the development of biomolecular simulation in Australia by demonstrating its potential to complement experiment, and also promote the effective use of APAC (Australian national supercomputer facilities) resources by providing advanced programs and computational protocols for other researchers. It will assist the diffusion of computational biology technology i ....Importance of conformational and electrostatic contributions in simulations of enzyme reaction mechanisms. The research will contribute to the development of biomolecular simulation in Australia by demonstrating its potential to complement experiment, and also promote the effective use of APAC (Australian national supercomputer facilities) resources by providing advanced programs and computational protocols for other researchers. It will assist the diffusion of computational biology technology into industrial applications such as rational drug design and protein engineering, as, for example, in our associated Linkage project grant, and provide novel insights into protein engineering and other sorts of design, which transcend concepts currently used in biomimetic chemistry.Read moreRead less