Spectroscopy and Electron Transfer Dynamics of Blue Copper Proteins

Lead Research Organisation: University of Warwick
Department Name: Chemistry


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Description That the force fields developed in an earlier project were suitable for providing an efficient sampling of configurational space so that proper ensemble averages could be generated to make proper contact with experimental spectroscopic data.
Exploitation Route Properly formulated and validated force fields can deal with many complex problems where far more expensive quantum-based methods would conventionally be employed.
Sectors Pharmaceuticals and Medical Biotechnology,Other