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
Hierarchical modeling of protein interactions. Protein interactions play a central role in function and structural organization of cells. Their elucidation is essential for a better understanding of many cellular processes from signal transduction to enzyme inhibition. The aim of this project is to utilize the unprecedented powers of current supercomputers in developing a hierarchical model of protein interactions. The method combines Brownian dynamics at large distances and long time scales ....Hierarchical modeling of protein interactions. Protein interactions play a central role in function and structural organization of cells. Their elucidation is essential for a better understanding of many cellular processes from signal transduction to enzyme inhibition. The aim of this project is to utilize the unprecedented powers of current supercomputers in developing a hierarchical model of protein interactions. The method combines Brownian dynamics at large distances and long time scales with molecular dynamics at small distances and shorter times. Applications to both membrane proteins (blocking of ion channels by toxins and drugs) and globular proteins (ligand binding to receptors and protein association) will be considered.Read moreRead less
Linkage Infrastructure, Equipment And Facilities - Grant ID: LE0560818
Funder
Australian Research Council
Funding Amount
$154,000.00
Summary
A Pico-Newton Scale Force Measurement Apparatus for Polymer Physics and Non-equilibrium Statistical Mechanics. We propose to build a state-of-the-art Optical Tweezers apparatus that measures small forces and torques on micron-sized objects located in 'optical traps'. Using a single laser beam and computer-generated holograms, we will create arrays of optical traps that move or 'dance', and alter the force/torque-imposing properties of each trap. This proposed research equipment will be used (1 ....A Pico-Newton Scale Force Measurement Apparatus for Polymer Physics and Non-equilibrium Statistical Mechanics. We propose to build a state-of-the-art Optical Tweezers apparatus that measures small forces and torques on micron-sized objects located in 'optical traps'. Using a single laser beam and computer-generated holograms, we will create arrays of optical traps that move or 'dance', and alter the force/torque-imposing properties of each trap. This proposed research equipment will be used (1) to study the physics of single synthetic polymer and naturally occuring biopolymer chains, (2) to quantify experimentally, and for the first time, newly predicted molecular-scale forces, and (3) to demonstrate new theories in non-equilibrium statistical mechanics that quantitatively describe the operation of nanomachines. Read moreRead less