A unique selection of papers on the most recent progress in the modelling of biological molecules containing metal ions.
New approaches and techniques in this field are allowing researchers to discuss structures, electronic properties and reaction mechanisms of metalloproteins on the basis of computational studies. The book discusses different approaches in the development of new force fields and their application to the computation of the structures, electronic properties and dynamics of bioinorganic compounds as well as quantum mechanical and integrated QM/MM methods for understanding the function of metalloenzymes and the calculation of electrostatic interactions.
- ISBN13 9789401061742
- Publish Date 16 October 2012 (first published 30 November 1997)
- Publish Status Active
- Publish Country NL
- Imprint Springer
- Edition 1997 ed.
- Format Paperback
- Pages 470
- Language English