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Prof Arieh Warshel (Nobel Prize in Chemistry, 2013) presents his seminal developments in computational modelling as applied to complex biological systems. The studies of biological systems have advanced enormously due to the progress in structural and biochemical research. However, we are frequently left without a clear structure function correlation and cannot fully describe how different systems actually work. This introduces a major challenge for computer modeling approaches that are aimed at a realistic simulation of biological functions. The unresolved questions range from the elucidation of the basis for enzyme action to the understanding of the directional motion of complex molecular motors. Here the progress in simulating biological functions will be reviewed, starting with the early stages of the field and the development of QM/MM approaches for simulations of enzymatic reactions.
2013 Nobel Prize in Chemistry Prof Arieh Warshel, University of Southern California. Education: BSc Chemistry (Technion, Israel), MSc and PhD Chemical Physics (Weizmann Institute of Sciences, Israel). Major honours: Nobel Laureate (Chemistry, 2013), Member National Academy of Sciences (2009), Honorary Fellow of the Royal Society of Chemistry (2008), Fellow of the Biophysical Society (2000)