Spectroscopy and Electron Transfer Dynamics of Blue Copper Proteins
Lead Research Organisation:
University of Warwick
Department Name: Chemistry
Abstract
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Organisations
Publications
Do H
(2013)
Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins.
in The journal of physical chemistry. B
| 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 |