Title: Molecular Modeling and Dynamics of Bioinorganic Systems: 3 (Closed)) (NATO Science Partnership Subseries: 3)
Publisher: Springer
Publication Date: 2012
Language: English
ISBN 10: 9401061742
ISBN 13: 9789401061742
Binding: Soft cover
Condition: New

About this title

Synopsis

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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