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Molecular Modeling and Dynamics of Bioinorganic Systems
Paperback
Series: NATO Science Partnership Subseries: 3, Book 41
ISBN13: 9789401061742
Publisher: Springer Nature
Published: Oct 16 2012
Pages: 470
Weight: 1.49
Height: 0.98 Width: 6.14 Depth: 9.21
Language: English
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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