Data infrastructure for biomolecular simulation - Steacie Supplement

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Biomolecules, such as proteins, DNA, lipids, and carbohydrates, exist in a microscopic universe with time and length scales 6-12 orders of magnitude smaller than the meters and seconds in which we measure length and time. They move rapidly on a time scale of nanoseconds and interact with individual water molecules. The size of most biomolecules is very small compared to the wavelength of visible light, which means they cannot be seen with ordinary microscopes, although there are many sophisticated experimental methods to measure aspects of the behaviour, shape, and interactions of biomolecules. Computer simulations of models that describe atoms and their interactions have become a powerful and widely used method to study matter at the level of electrons, atoms, and molecules. Many of these models are applicable to a broad range of materials, including biomolecules.