- Dr Katharina Meier, Bayer
- Dr Gerhard König, ETH Zürich
- Dr Donald Weaver, Krembil Research Institute
- Prof Jonathan Essex, University of Southampton
- Dr Christina Schindler, Merck
Recent developments in both technology and algorithms have led to increased interest in biomedical applications of molecular modelling and simulation techniques in a wide range of fields from biosensor design, to drug discovery and personalized medicine. Advances have come from both physics based mechanistic modelling, including quantum mechanical, molecular dynamics and Monte Carlo methods for free energy, residence time and kinetic parameter estimation, and data driven approaches, including bioinformatics and machine learning. The convergence and the interaction of these two disciplines is likely to prove fruitful and productive.
The symposium aims to encompass the wide range of exciting current work in this domain. Topics for consideration include but are not limited to, small molecule docking and free energy calculations, estimation of rate parameters for binding processes, biosensor modelling, antibody design, de novo molecule generation and protein / DNA structure-function relationships.
- Peter Coveney, Professor of Physical Chemistry
- Herman Van Vlijmen, Head of Molecular Sciences