1pm - 2pm BST

Wednesday 7 June 2023

Professor Brendan Howlin - Molecular modelling in drug design and energy


Teaching Block
University of Surrey
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Molecular modelling is the chemistry equivalent of engineering design except we design molecules instead of buildings and bridges. The mathematical principles are much the same except the charge on the atoms  making up the molecule are significant at this scale. Hence, quantum methods are important also. There is a growing appreciation and understanding of quantum effects in biology, hence the Quantum Biology Centre at Surrey. Drug design is based on a very simple theory called the lock and key mechanism and Professor Howlin will show how we can go from this to designing drugs to alleviate the effects of ageing. Materials are governed by the same principles of molecular modelling so we can calculate material properties as well. One application of Professor Howlin's research involves the production of environmentally friendly high energy density supercapacitors which are largely aqueous based (so don’t catch fire) and do not contain any conflict metals.