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Molecular Dynamics

Applications in Molecular Biology

  • Textbook
  • © 1991

Overview

Editors:
  1. Julia M. Goodfellow

    1. Dept of Crystallography, Birkbeck College, London, UK

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Part of the book series: Topics in Molecular and Structural Biology (TMSB)

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Table of contents (6 chapters)

  1. Front Matter

    Pages i-ix
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  2. Simulating the Dynamics of Macromolecules

    • T. P. Flores, D. S. Moss
    Pages 1-26

  3. Conformational Variability of Insulin: a Molecular Dynamics Analysis

    • Leo S. D. Caves, Dzung T. Nguyen, Roderick E. Hubbard
    Pages 27-68

  4. Molecular Dynamics Simulations of Carbohydrates

    • Jutta Köhler
    Pages 69-106

  5. Prediction of the Three-dimensional Structures of Ribonucleic Acids: from tRNA to 16S Ribosomal RNA

    • Arun Malhotra, Robert K.-Z. Tan, Stephen C. Harvey
    Pages 107-136

  6. Refinement of Three-dimensional Structures of Proteins and Nucleic Acids

    • Axel T. Brünger
    Pages 137-178

  7. Applications of Free Energy Calculations

    • Mark A. Williams, Mansoor A. S. Saqi, Julia M. Goodfellow
    Pages 179-195

  8. Back Matter

    Pages 197-200
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Keywords

About this book

Molecular dynamics is an important technique with applications in many areas including those of drug design, protein engineering, macromolecular structure determination and molecular recognition. This book concentrates on these exciting applications while summarizing briefly the essential mathematical background. Results are presented on protein, carbohydrate and nucleotide modelling and dynamics using the standard molecular dynamics and related algorithms. There are also chapters covering two relatively new applications namely the simulated annealing protocol which has revolutionized macromolecular structure determination from both nmr spectroscopy and x-ray crystallography and the free energy perturbation method with its direct applications relevant to the design of drugs and mutant proteins.

Editors and Affiliations

  • Dept of Crystallography, Birkbeck College, London, UK

    Julia M. Goodfellow

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