Biomolecule Simulations

Cytochrome C in ionic liquid

At the core of all biological processes are complex molecules, such as proteins and nucleic acids, performing a range of functions in the living cell. As these molecules are many orders of magnitude too small to be observed directly, it is often useful to simulate them using Hgh Performance Computing.

Molecular dynamics simulations of these systems, whereby molecular motion is simulated for short periods of time, can illustrate important biological function and consequences of genetic mutations that may not be apparent from other methods.

VPAC offers a range of academic and commercial software used to simulate these processes as well as maintaining optimised hardware and software libraries to significantly speed up simulations. By offering in-house modelling and scientific expertise, VPAC can also assist the researcher with choosing the most appropriate software as well direct assistance with modelling.

Contact

For further information regarding VPAC's Biomolecule Simulations services, please contact lifesciences@vpac.org or phone +61 3 9925 4645.

Featured Media

Selected case studies. See all 4 case studies for Life Sciences.

  • Aprenavir binding site showing water interactions
    Modelling HIV Protease Mutations

    High performance computing was used to investigate the effects of resistance mutations within a crucial enzyme of Human Immunodeficiency Virus (HIV) towards a range of antiviral drugs.

  • HIV reverse transcriptase
    Modelling HIV Reverse Transcriptase

    High performance computing was used to investigate the effects of resistance mutations within a crucial enzyme of Human Immunodeficiency Virus (HIV) towards the antiviral drug Nevirapine.

  • Cadherin WT and Mutant Models
    Cadherin Modelling

    Cadherins are a class of calcium dependent molecules which are responsible for adhesion between cells.