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Table of contents (20 chapters)
Keywords
About this book
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.
Editors and Affiliations
Bibliographic Information
Book Title: Molecular Modeling and Dynamics of Bioinorganic Systems
Editors: Lucia Banci, Peter Comba
Series Title: NATO Science Partnership Subseries: 3
DOI: https://doi.org/10.1007/978-94-011-5171-9
Publisher: Springer Dordrecht
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eBook Packages: Springer Book Archive
Copyright Information: Springer Science+Business Media Dordrecht 1997
Softcover ISBN: 978-0-7923-4824-5Published: 30 November 1997
eBook ISBN: 978-94-011-5171-9Published: 06 December 2012
Series ISSN: 1388-6576
Edition Number: 1
Number of Pages: XIII, 470
Topics: Inorganic Chemistry, Computer Applications in Chemistry, Theoretical and Computational Chemistry
Industry Sectors: Chemical Manufacturing, Energy, Utilities & Environment