Senior Lecturer, School of Science and Engineering & Computational Biology, School of Life Sciences, University of Dundee
An overview of computational methods in biophysics and biomedical research. Proteins are the molecular machines of a living cell. To perform their duties, they must undergo conformational changes, much like the motions of macroscopic machines. Such dynamics often are extremely hard to capture even when using the most sophisticated experimental methods. Over the past two decades molecular simulations have matured into a powerful tool - the ‘Virtual Microscope’ – for providing a 'movie' of full atomic detail of working biomolecular systems and thus understanding their structure, dynamics and function. A summary of application of computational methods in biomedical research will also be presented, including cell and tissue mechanics, imaging, drug design, and big data in healthcare.