Molecular Modeling and Dynamics of Bioinorganic Systems

  • Lucia Banci
  • Peter Comba

Part of the NATO ASI Series book series (ASHT, volume 41)

Table of contents

  1. Front Matter
    Pages i-xiii
  2. Robert J. Deeth, Ian J. Munslow, Veronica J. Paget
    Pages 77-103
  3. Csilla Csiki, Karen M. Norenberg, Christina M. Shoemaker, Marc Zimmer
    Pages 105-129
  4. Miguel-Angel Elizondo-Riojas, Florence Gonnet, Pascale Auge-Barrere-Mazouat, Frederic Allain, Jacqueline Berges, Roger Attias et al.
    Pages 131-160
  5. Lucia Banci, Giovanni Gori Savellini
    Pages 191-216
  6. Timothy Clark, Peter Gedeck, Harald Lanig, Gudrun Schürer
    Pages 307-317
  7. Ernst Walter Knapp, Bernd Melchers, Fritz Parak
    Pages 319-342
  8. B. Asbóth, Z. Böcskei, M. Fuxreiter, G. Náray-Szabó
    Pages 419-439
  9. Back Matter
    Pages 465-470

About this book


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.


Nucleotide enzyme enzymes protein proteins

Editors and affiliations

  • Lucia Banci
    • 1
  • Peter Comba
    • 2
  1. 1.Department of ChemistryUniversity of FlorenceFlorenceItaly
  2. 2.Anorganisch-Chemisches InstitutUniversität HeidelbergHeidelbergGermany

Bibliographic information

  • DOI
  • Copyright Information Kluwer Academic Publishers 1997
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-94-010-6174-2
  • Online ISBN 978-94-011-5171-9
  • Series Print ISSN 1388-6576
  • Buy this book on publisher's site
Industry Sectors
Chemical Manufacturing
Consumer Packaged Goods
Energy, Utilities & Environment
Oil, Gas & Geosciences