Table of contents

  1. Front Matter
    Pages i-xv
  2. Part I Fundamentals in Drug Research

    1. Front Matter
      Pages 1-2
    2. Gerhard Klebe
      Pages 23-36
    3. Gerhard Klebe
      Pages 37-60
    4. Gerhard Klebe
      Pages 89-110
  3. Part II The Search for the Lead Structure

    1. Front Matter
      Pages 111-112
    2. Gerhard Klebe
      Pages 113-128
    3. Gerhard Klebe
      Pages 153-172
    4. Gerhard Klebe
      Pages 173-188
    5. Gerhard Klebe
      Pages 189-208
  4. Part III Experimental and Theoretical Methods

    1. Front Matter
      Pages 209-210
    2. Gerhard Klebe
      Pages 211-232
    3. Gerhard Klebe
      Pages 233-264
    4. Gerhard Klebe
      Pages 291-314
    5. Gerhard Klebe
      Pages 315-334
    6. Gerhard Klebe
      Pages 335-346
  5. Part IV Structure–Activity Relationships and Design Approaches

  6. Part V Drugs and Drug Action: Successes of Structure-Based Design

    1. Front Matter
      Pages 469-470
    2. Gerhard Klebe
      Pages 471-492
    3. Gerhard Klebe
      Pages 533-564
    4. Gerhard Klebe
      Pages 565-598
    5. Gerhard Klebe
      Pages 599-640
    6. Gerhard Klebe
      Pages 641-696
    7. Gerhard Klebe
      Pages 697-718
    8. Gerhard Klebe
      Pages 745-776
    9. Gerhard Klebe
      Pages 777-812
  7. Back Matter
    Pages 853-901

About this book


Unique work on structure-based drug design, covering multiple aspects of drug discovery and development. Fully colored, many images, computer animations of 3D structures (these only in electronic form). Makes the spatial aspects of interacting molecules clear to the reader, covers multiple applications and methods in drug design. Structures by mode of action, no therapeutic areas. Of high relevance for academia and industrial research. Focus on gene technology in drug design, omics-technologies computational methods experimental techniques of structure determination multiple examples on mode of action of current drugs, ADME-tox properties in drug development, QSAR methods, combinatorial chemistry, biologicals, ribosome, targeting protein-protein interfaces.


Drug Design Hit-to-lead optimization Screening technologies computer methods and modelling drug targets, mode-of-action

Editors and affiliations

  • Gerhard Klebe
    • 1
  1. 1.Institute of Pharmaceutical ChemistryPhilipps-University MarburgMarburgGermany

Bibliographic information

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