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Molecular Aspects of Biotechnology: Computational Models and Theories

  • Book
  • © 1992

Overview

Editors:
  1. Juan Bertrán

    1. Department of Chemistry, Universitat Autònoma de Barcelona, Bellaterra (Barcelona), Spain

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Part of the book series: Nato Science Series C: (ASIC, volume 368)

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Table of contents (13 chapters)

  1. Front Matter

    Pages i-xiv
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  2. Conformational Energy Calculations on Polypeptides and Proteins

    • Harold A. Scheraga
    Pages 1-15

  3. Computer Modeling of Constrained Peptide Systems

    • James R. Blinn, Kuo-Chen Chou, W. Jeffrey Howe, Gerald M. Maggiora, Boryeu Mao, Joseph B. Moon
    Pages 17-38

  4. Peptide Conformational Potential Energy Surfaces and their Relevance to Protein Folding

    • Andras Perczel, Wladia Viviani, Imre G. Csizmadia
    Pages 39-82

  5. Dynamic Shape Analysis of Biomolecules Using Topological Shape Codes

    • Paul G. Mezey
    Pages 83-104

  6. Computer Simulation of Biomolecules: Comparison with Experimental Data

    • W. F. Van Gunsteren, R. M. Brunne, A. E. Mark, S. P. Van Helden
    Pages 105-122

  7. Molecular Dynamics Computer Modelling and Protein Engineering

    • O. Tapia, O. Nilsson
    Pages 123-152

  8. Structural Specificity in the Engineering of Biological Function: Insights from the Dynamics of Calmodulin

    • Harel Weinstein, Ernest L. Mehler
    Pages 153-173

  9. Simulations of Proton Transfer and Hydride Transfer Reactions in Proteins

    • A. Warshel
    Pages 175-191

  10. Reaction Dynamics in Polyatomic Molecular Systems: Some Approaches for Constructing Potential Energy Surfaces and Incorporating Quantum Effects in Classical Trajectory Simulations

    • William H. Miller
    Pages 193-235

  11. A Strategy for Modelling of Chemical Reactivity using MC-SCF and MM-VB Methods

    • Massimo Olivucci, Ioannis N. Ragazos, Michael A. Robb, F. Bernardi
    Pages 237-250

  12. Challenges in Computer Modeling Complex Molecular Systems

    • Peter Kollman
    Pages 251-262

  13. Theoretical Study of the Catalyzed Hydration of CO2 by Carbonic Anhydrase: A Brief Overview.

    • Miquel Sola, Agusti Lledos, Miquel Duran, Juan Bertran
    Pages 263-298

  14. AB Initio Studies and Quantum-Classical Molecular Dynamics Simulations for Proton Transfer Processes in Model Systems and in Enzymes

    • P. Bala, B. Lesyng, T. N. Truong, J. A. McCammon
    Pages 299-326

  15. Back Matter

    Pages 327-332
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Keywords

About this book

Although biotechnology emerged from the genetic engineering revolution of the '70s, the knowledge of the structure of genes revealed its molecular aspects. Molecular biotechnology is a multidisciplinary domain of research in which experiments, simulations, and theories interact. At present, the huge increase in computer power allows us to carry out numerical simulations of biochemical systems. However, a fundamental question appears concerning the sophistication of the model utilized to capture the main features of biomolecules and biochemical processes. In the present book a group of leading specialists in molecular biotechnology provides an answer to this question.
This book is thus an excellent tool for those researchers wishing to know the state-of-the-art in this domain. The book spans the range from molecular conformations through protein folding, and from chemical reactivity through enzymatic action. Furthermore, it formulates recommendations for future research in molecular biotechnology.

Editors and Affiliations

  • Department of Chemistry, Universitat Autònoma de Barcelona, Bellaterra (Barcelona), Spain

    Juan Bertrán

Bibliographic Information

  • Book Title: Molecular Aspects of Biotechnology: Computational Models and Theories

  • Editors: Juan Bertrán

  • Series Title: Nato Science Series C:

  • DOI: https://doi.org/10.1007/978-94-011-2538-3

  • Publisher: Springer Dordrecht

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer Science+Business Media Dordrecht 1992

  • Softcover ISBN: 978-94-010-5121-7Published: 20 November 2013

  • eBook ISBN: 978-94-011-2538-3Published: 06 December 2012

  • Series ISSN: 1389-2185

  • Edition Number: 1

  • Number of Pages: XIV, 332

  • Number of Illustrations: 23 b/w illustrations

  • Topics: Computer Applications in Chemistry, Biotechnology, Biochemistry, general

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