Biomolecular Structure and Dynamics

  • Gérard Vergoten
  • Theophile Theophanides

Part of the NATO ASI Series book series (NSSE, volume 342)

Table of contents

  1. Front Matter
    Pages i-ix
  2. Modeling and Computer Simulations

    1. Front Matter
      Pages 1-1
    2. William L. Jorgensen, Erin M. Duffy, Jonathan W. Essex, Daniel L. Severance, James F. Blake, Deborah K. Jones-Hertzog et al.
      Pages 21-34
    3. Richard P. Muller, Jan Florián, Arieh Warshel
      Pages 47-77
    4. Rolando Rodriguez, Gerrit Vriend
      Pages 79-119
  3. Proteins and Lipids

    1. Front Matter
      Pages 187-187
    2. R. Kaptein, A. M. J. J. Bonvin, R. Boelens
      Pages 189-209
    3. José Luis R. Arrondo, Félix M. Goñi
      Pages 229-242
    4. H. Georg, K. Hauser, C. Rödig, O. Weidlich, F. Siebert
      Pages 243-261
  4. Nucleic Acids

    1. Front Matter
      Pages 271-271
    2. Tiziana Marino, Nino Russo, Anna Sarubbo, Marirosa Toscano
      Pages 285-297
    3. Timothy A. Keiderling
      Pages 299-317
  5. Back Matter
    Pages 319-327

About this book


Biomolecular Structure and Dynamics describes recent fundamental advances in the experimental and theoretical study of molecular dynamics and stochastic dynamic simulations, X-ray crystallography and NMR of biomolecules, the structure of proteins and its prediction, time resolved Fourier transform IR spectroscopy of biomolecules, the computation of free energy, applications of vibrational CD of nucleic acids, and solid state NMR. Further presentations include recent advances in UV resonance Raman spectroscopy of biomolecules, semiempirical MO methods, empirical force fields, quantitative studies of the structure of proteins in water by Fourier transform IR, and density functional theory. Metal-ligand interactions, DFT treatment of organometallic and biological systems, and simulation vs. X-ray and far IR experiments are also discussed in some detail.
The book provides a broad perspective of the current theoretical aspects and recent experimental findings in the field of biomolecular dynamics, revealing future research trends, especially in areas where theoreticians and experimentalists could fruitfully collaborate.


Peptide Termination X-ray infrared spectroscopy proteins spectroscopy

Editors and affiliations

  • Gérard Vergoten
    • 1
    • 2
  • Theophile Theophanides
    • 3
  1. 1.CRESIMMLille, Villeneuve d’AscqFrance
  2. 2.Department of ChemistryUniversity of Science and TechnologyLille, Villeneuve d’AscqFrance
  3. 3.Chemical Engineering DepartmentNational Technical University of AthensZografou, AthensGreece

Bibliographic information

  • DOI
  • Copyright Information Kluwer Academic Publishers 1997
  • Publisher Name Springer, Dordrecht
  • eBook Packages Springer Book Archive
  • Print ISBN 978-94-010-6307-4
  • Online ISBN 978-94-011-5484-0
  • Series Print ISSN 0168-132X
  • Buy this book on publisher's site
Industry Sectors