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Quantum Mechanical Simulation Methods for Studying Biological Systems

Les Houches Workshop, May 2–7, 1995

  • Dominique Bicout
  • Martin Field
Conference proceedings

Part of the Centre de Physique des Houches book series (LHWINTER, volume 4)

Table of contents

  1. Front Matter
    Pages I-XIV
  2. N. C. Handy
    Pages 1-35
  3. P. Bała, P. Grochowski, B. Lesyng, J. A. McCammon
    Pages 119-156
  4. J. J. Regan, J. N. Onuchic
    Pages 181-200
  5. T. R. Furlani, H. F. King
    Pages 271-284
  6. M. P. Merrick, K. A. Iyer, T. L. Beck
    Pages 285-294
  7. I. Milošević, A. Damjanović, M. Damnjanović
    Pages 295-311
  8. Back Matter
    Pages 313-313

About these proceedings

Introduction

It is now generally agreed that a deeper understanding of biological processes requires a multi-disciplinary approach employing the tools of biology, chemistry, and physics. Such understanding involves study of biomacromolecules and their functions, which includes how they interact, their reactions, and how information is transmitted between them. This volume is devoted to quantum mechanical simulation techniques, which have developed rapidly in recent years. It covers quantum mechanical calculations of large systems, molecular dynamics combining quantum and classical algorithms, quantum dynamical simulations, and electron and proton transfer processes in proteins and in solutions.

Keywords

Electron Transfer Molecular Dynamics Photochemistry algorithms density functional theory molecule photosynthesis proteins quantum chemistry quantum dynamics solution

Editors and affiliations

  • Dominique Bicout
    • 1
  • Martin Field
    • 1
  1. 1.Institut de Biologie StructuraleLaboratoire de Dynamique MolculaireGrenoble Cedex 1France

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-662-09638-3
  • Copyright Information Springer-Verlag Berlin Heidelberg 1996
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-60869-1
  • Online ISBN 978-3-662-09638-3
  • Buy this book on publisher's site