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Molecular Modelling and Drug Design

  • Textbook
  • © 1994
  • Latest edition

Overview

Editors:
  1. J. G. Vinter
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    You can also search for this editor in PubMed   Google Scholar

  2. Mark Gardner
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    You can also search for this editor in PubMed   Google Scholar

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

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Table of contents (11 chapters)

  1. Front Matter

    Pages i-xi
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  2. Molecular Modelling Methods

    • William A. Wylie
    Pages 1-52

  3. Molecular Mechanics: Problems and Potential

    • Jonathan M. Goodman
    Pages 53-88

  4. The Global Minimum Problem in Molecular Mechanics: Simulated Annealing and Related Techniques

    • S. D. Morley
    Pages 89-136

  5. The Castlemaine Project: Development of an AI-based Drug Design Support System

    • Edward E. Hodgkin
    Pages 137-169

  6. A Discussion of Various Computational Methods for Drug Design

    • Richard A. Lewis, Elaine C. Meng
    Pages 170-210

  7. Applications of Artificial Intelligence in Molecular Modelling and Drug Design

    • Andrew R. Leach
    Pages 211-265

  8. The Calculation, Representation and Analysis of Molecular Fields

    • P. W. Finn
    Pages 266-304

  9. Molecular Similarity Calculations for the Rational Design of Bioactive Molecules

    • Catherine Burt
    Pages 305-332

  10. Multivariate QSAR and Computational Chemistry: A Novel Receptor Model of the D1 Agonist Binding Site

    • David T. Manallack
    Pages 333-376

  11. A Perspective of Peptide Modelling

    • H. Broughton
    Pages 377-416

  12. The Developer’s Perspective — What Can Be Achieved in Hardware and Software

    • Martin R. Saunders
    Pages 417-438

  13. Back Matter

    Pages 439-444
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Keywords

About this book

The place of molecular modelling in drug design is now firmly established. Molecular Modelling and Drug Design contains chapters from among the best young scientists in industry and academia. They present many of the new methods available as well as describing the correct use of more established techniques. The book has been written with a blend of optimism, including methods designed to semi - automate a large part of the drug design process, and pragmatism, pointing out the traps into which the unwary researcher may be drawn. Essential reading both for the modelling practitioner, and for those whose research would benefit from an understanding of the broad range of applications of molecular modelling.

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