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Katharina Meier, Alexandra Choutko, Jozica Dolenc, Andreas P. Eichenberger, Sereina Riniker and Wilfred F. van Gunsteren Multi-Resolution Simulation of Biomolecular Systems: A Review of Methodological Issues Angewandte Chemie International Edition 52

Version of Record online: 18 FEB 2013 | DOI: 10.1002/anie.201205408

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Various levels of resolution, for example, electronic, atomic, supramolecular, are combined in one model in multi-resolution simulations. The basic choices when setting up a multi-resolution model are reviewed. As an illustration the differential catalytic properties of two enzymes with similar folds are explored using multi-resolution simulation at three different levels of resolution.

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