Classical molecular dynamics simulations in the HIRES-MULTIDYN project are carried out by the team at ETH Zurich. The role in the project is to provide a comparison between MD simulations and experimental NMR relaxation rates as well as a structural interpretation at atomic detail.
Sereina Riniker is Associate Professor at ETH Zurich and head of the Computational Chemistry Group. She is a specialist in MD simulations and cheminformatics. The focus of her research group is the development of methods and software, and the application of computational approaches to gain insights into challenging biological and chemical questions.
Candide Champion is a PhD student in the Computational Chemistry Group at ETH Zurich. His work focuseson the development of novel methods for MD simulations and free-energy calculation.
Marc Lehner is a PhD student in the Computational Chemistry Group at ETHZ. His work focuses on the development of new methodology for MD simulations and atomistic force fields.