Paperback. 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. Proceedings of the NATO Advanced Research Workshop on Molecular Modeling and Dynamics of Biological Molecules containing Metal Ions, San Miniato (Pisa), Italy, March 15-21, 1997 Shipping may be from multiple locations in the US or from the UK, depending on stock availability.

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Titel: Molecular Modeling and Dynamics of Bioinorganic Systems (Paperback)
Verlag: Springer, Dordrecht
Erscheinungsjahr: 2012
Sprache: Englisch
ISBN-10: 9401061742
ISBN-13: 9789401061742
Einband: Paperback
Zustand: new

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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.

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