Intermolecular interactions revisited-Flaws in the fabric and applications to lower-dimensional structures. This project aims to capitalise on recent developments, that have shown that previously accepted theories are deeply flawed, in various applications in fundamental physics and in unsolved problems in biology that involve electromagnetic fields. Interactions driven
by electromagnetic fluctuation forces, and real photon exchange, between molecules will be investigated. The project will inv ....Intermolecular interactions revisited-Flaws in the fabric and applications to lower-dimensional structures. This project aims to capitalise on recent developments, that have shown that previously accepted theories are deeply flawed, in various applications in fundamental physics and in unsolved problems in biology that involve electromagnetic fields. Interactions driven
by electromagnetic fluctuation forces, and real photon exchange, between molecules will be investigated. The project will investigate how dispersion interactions change in mesoscopic pores, in electrolytes, and at finite temperatures. Applications involve
catalysis, molecular formation, and quantum logic. The project also aims to develop a unified theory for energy and charge transfer, relevant for photosynthesis and the way biological molecules transfer information.Read moreRead less
Dynamic modelling of biomolecular systems: Going beyond classical empirical force fields. The ability to accurately model the structural and functional aspects of biomolecular systems at an atomic level is of fundamental importance in the pharmaceutical and biotechnological industries. By developing new approaches for treating dispersion terms and transition metals we aim to improve our understanding of critical biomolecular systems such as how novel anti-cancer metal complexes interact with DNA ....Dynamic modelling of biomolecular systems: Going beyond classical empirical force fields. The ability to accurately model the structural and functional aspects of biomolecular systems at an atomic level is of fundamental importance in the pharmaceutical and biotechnological industries. By developing new approaches for treating dispersion terms and transition metals we aim to improve our understanding of critical biomolecular systems such as how novel anti-cancer metal complexes interact with DNA and block transcription and the role various transition metals such as Cu(II) and Zn(II) stabilize the conformations of peptides involved in Alzheimer's disease. In addition by greatly expanding the range of systems that can be modeled efficiently the work will have widespread benefits in academic research as well as for industry.Read moreRead less
Neutron Scattering in Biology. Australia's Replacement Research Reactor will be a world-class neutron source, and represents the country's largest single investment in scientific research infrastructure. It is now essential to stimulate its production of high-quality research in materials science, chemistry and biology. The applicant is a recognised world leader in the field of neutron scattering research, particularly in biology. His presence in the Bragg Institute, which manages the neutron ....Neutron Scattering in Biology. Australia's Replacement Research Reactor will be a world-class neutron source, and represents the country's largest single investment in scientific research infrastructure. It is now essential to stimulate its production of high-quality research in materials science, chemistry and biology. The applicant is a recognised world leader in the field of neutron scattering research, particularly in biology. His presence in the Bragg Institute, which manages the neutron scattering instruments on the reactor, will provide direction and impetus for the science that will be initiated there, advancing applications in materials science, medicine and biotechnology.Read moreRead less
Protein self-assembly on surfaces, interfaces and nanoparticles. Surfaces such as those presented by an air-liquid interface or air-borne nanoparticles exert significant effects on protein aggregation in biological environments. We will develop a comprehensive theoretical and experimental approach to study the effects of such surfaces on the self assembly of proteins leading to disease causing amyloid fibrils. This will provide a molecular level understanding of protein self-association and a ....Protein self-assembly on surfaces, interfaces and nanoparticles. Surfaces such as those presented by an air-liquid interface or air-borne nanoparticles exert significant effects on protein aggregation in biological environments. We will develop a comprehensive theoretical and experimental approach to study the effects of such surfaces on the self assembly of proteins leading to disease causing amyloid fibrils. This will provide a molecular level understanding of protein self-association and a rational basis for the design of inhibitors to stop protein aggregation. The work will also establish design principles for new nanomaterials via the controlled self assembly of proteins on surfaces.Read moreRead less
Simulation of ligand binding-induced conformational changes in biological systems. This project is focused on the development of a methodology that will allow using molecular dynamics simulations to study fundamental biochemical reactions. The benefits to the Australian community are two fold: i) the software developed will be made available to the whole scientific community through peer-reviewed publication. Australian researchers will have the possibility to exploit the software in advance thr ....Simulation of ligand binding-induced conformational changes in biological systems. This project is focused on the development of a methodology that will allow using molecular dynamics simulations to study fundamental biochemical reactions. The benefits to the Australian community are two fold: i) the software developed will be made available to the whole scientific community through peer-reviewed publication. Australian researchers will have the possibility to exploit the software in advance through collaborations with our research group. ii) During this collaboration Australian PhD students will have the opportunity to spend a few months overseas to learn about the most advanced computational techniques and interact with top researchers in the computational chemistry field.Read moreRead less