Realistic models of permeation in ion channels. Ion channels are formed by proteins in cell membranes and provide pathways for fast and controlled flow of selected ions. This activity generates action potentials in nerves and muscles that forms the basis of all movement, sensation and thought processes. Recent determination of the crystal structure of channel proteins has enabled construction of models that can relate channel function to its structure--necessary for understanding their operati ....Realistic models of permeation in ion channels. Ion channels are formed by proteins in cell membranes and provide pathways for fast and controlled flow of selected ions. This activity generates action potentials in nerves and muscles that forms the basis of all movement, sensation and thought processes. Recent determination of the crystal structure of channel proteins has enabled construction of models that can relate channel function to its structure--necessary for understanding their operation and seeking cures for diseases caused by their malfunction. This project aims to develop accurate ion-protein-water interactions for permeation models based on stochastic and molecular dynamics simulations using both classical and quantum mechanical methods.Read moreRead less
Quantum mechanical and dynamical investigation of ion channels. Many genetic diseases result from mutations in the genes that transcribe the channel proteins. Ion channels are also primary targets for development of therapeutic drugs for many ailments. Development of proper simulation tools is essential for a molecular-level understanding of their operation, which will be very helpful in finding treatments for genetic diseases as well as new drugs that target ion channels. Another aim of the p ....Quantum mechanical and dynamical investigation of ion channels. Many genetic diseases result from mutations in the genes that transcribe the channel proteins. Ion channels are also primary targets for development of therapeutic drugs for many ailments. Development of proper simulation tools is essential for a molecular-level understanding of their operation, which will be very helpful in finding treatments for genetic diseases as well as new drugs that target ion channels. Another aim of the project is to provide research training in computational biology. Research in this area is rapidly growing elsewhere but it has been rather neglected in Australia, and there is a shortage of researchers with such skills at present.Read moreRead less
Special Research Initiatives - Grant ID: SR0354636
Funder
Australian Research Council
Funding Amount
$30,000.00
Summary
Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecula ....Australian Computational Molecular Science Network. Computational Molecular Science (CMS) involves the use of theory and computational methods to simulate and visualise molecular systems ranging from small atmospheric species to proteins, nucleic acids, chemical polymers and materials. It represents our most incisive expression of what we understand about the molecular basis of nature. The CMS network will integrate and cross-fertilize both fundamental and application-based expertize in molecular scale computations in the fields of nanoscience, biomaterials, biotechnology, biomedical science and environmental science. It will uncover and explore critical new interdisciplinary science and create new molecular-based paradigms that will drive advances in these fields over the next decade.Read moreRead less
Biomolecular films on silicon substrates. Construction of hybrid carbon-silicon devices in which molecular organic molecular films are covalently linked to silicon wafers. Biomolecular nanostructures on silicon wafers can be studied using unique impedance spectroscopy instrumentation that we have developed as well as X-ray and neutron reflectometry. The system will be used to study a variety of molecular films as well as molecularly tethered lipid bilayer membranes that mimic aspects of cell mem ....Biomolecular films on silicon substrates. Construction of hybrid carbon-silicon devices in which molecular organic molecular films are covalently linked to silicon wafers. Biomolecular nanostructures on silicon wafers can be studied using unique impedance spectroscopy instrumentation that we have developed as well as X-ray and neutron reflectometry. The system will be used to study a variety of molecular films as well as molecularly tethered lipid bilayer membranes that mimic aspects of cell membranes and these will be used to investigate the effect of sterols on such membranes.Read moreRead less
Novel coding and decoding in suspension arrays for accelerated biomolecular discovery and personalised medicine. This project will establish an advanced multiplexing technique to rapidly analyse complex biological mixtures, such as cell lysates, food samples or body fluids. It will enable the analysis of not tens, but thousands or more distinctive molecular targets in a single test. This will build the foundations for future generation bioassays, paving the way to emerging personalised medicine. ....Novel coding and decoding in suspension arrays for accelerated biomolecular discovery and personalised medicine. This project will establish an advanced multiplexing technique to rapidly analyse complex biological mixtures, such as cell lysates, food samples or body fluids. It will enable the analysis of not tens, but thousands or more distinctive molecular targets in a single test. This will build the foundations for future generation bioassays, paving the way to emerging personalised medicine. This will lead to new personal diagnostics tools for rapid genotype profiling, to better tailor therapy to the individual patient's specific characteristics. As well as the potential to improve health outcomes, the project will generate significant intellectual property and the opportunity for development of new diagnostic instrumentation in Australia.Read moreRead less
Biomolecular surface interactions with smart biomaterials. Current materials used for medical implants are often recognised by the body as foreign materials causing implant rejection or encapsulation. Research into the interactions between biological molecules and chemically and topographically modified materials will aid in the development of new materials and devices that optimise the body's response to the implanted material. The new materials and surfaces developed from this research will pr ....Biomolecular surface interactions with smart biomaterials. Current materials used for medical implants are often recognised by the body as foreign materials causing implant rejection or encapsulation. Research into the interactions between biological molecules and chemically and topographically modified materials will aid in the development of new materials and devices that optimise the body's response to the implanted material. The new materials and surfaces developed from this research will provide longer lasting implants and reduce the need for repeated operations. This will improve the quality of life for implant recipients and reduce health care costs.Read moreRead less
Metalloproteins and metalloenzymes. Most of the chemical reactions and physical movements in living systems are carried out by proteins. The information for producing proteins from amino acids is stored in the genes, but many biological processes depend on additional atoms or molecules ('cofactors') that are added to a protein after it is assembled. For example, more than 30% of all proteins contain metal atoms which are essential for their function. We are studying the structures of such meta ....Metalloproteins and metalloenzymes. Most of the chemical reactions and physical movements in living systems are carried out by proteins. The information for producing proteins from amino acids is stored in the genes, but many biological processes depend on additional atoms or molecules ('cofactors') that are added to a protein after it is assembled. For example, more than 30% of all proteins contain metal atoms which are essential for their function. We are studying the structures of such metalloproteins and metalloenzymes so that we can better understand their activities with long term aims of creating new molecules for biotechnology and/or drugs.Read moreRead less
Functional Genomics and Host Cell Specificity of Herpesviruses. Herpesviruses cause severe diseases in many species, but research on their large DNA genomes has been difficult due to the need to use animal cell cultures for the generation of virus mutants. The cloning of complete herpesvirus genomes as Bacterial Artificial Chromosomes (BACs) has revolutionized herpesvirus genomics, and it is now possible to examine herpesvirus gene functions in unprecedented detail using elegant new mutation tec ....Functional Genomics and Host Cell Specificity of Herpesviruses. Herpesviruses cause severe diseases in many species, but research on their large DNA genomes has been difficult due to the need to use animal cell cultures for the generation of virus mutants. The cloning of complete herpesvirus genomes as Bacterial Artificial Chromosomes (BACs) has revolutionized herpesvirus genomics, and it is now possible to examine herpesvirus gene functions in unprecedented detail using elegant new mutation techniques. The project, based on two related equine herpesviruses, will identify new targets for antiviral drugs or vaccines. These herpesvirus BAC systems represent frontier science that greatly facilitates the study of links between genome and phenome.Read moreRead less
Biological phosphorous removal for wastewater treatment. The aim is to provide a scientific basis for understanding how phosphorous can be removed in wastewater treatment plants, using environmentally safe biological methods rather than by using chemicals. This is expected to lead to improved performance in wastewater treatment plants, which will be of economic and environmental benefit, particularly to regional communities in inland Australia.
Understanding and changing the mechanism of an enzyme: converting a peptidase to a phosphotriesterase. Enzymes have the ability to catalyse biological reactions rapidly as a consequence of their unique three-dimensional structures. We seek to define the structures of a family of metalloenzymes that are required in most living organisms to activate hormones, degrade unwanted proteins or recycle the protein building blocks for further synthesis. We shall use this information to enhance a second ....Understanding and changing the mechanism of an enzyme: converting a peptidase to a phosphotriesterase. Enzymes have the ability to catalyse biological reactions rapidly as a consequence of their unique three-dimensional structures. We seek to define the structures of a family of metalloenzymes that are required in most living organisms to activate hormones, degrade unwanted proteins or recycle the protein building blocks for further synthesis. We shall use this information to enhance a second function of these enzymes, namely their ability to break down organophosphorus-containing insecticides and nerve agents. Ultimately, the structural information resulting from this project may be used in drug design to regulate blood pressure and in engineering proteins for bioremediation.Read moreRead less