Skip to main content
SpringerLink
Log in
Book cover

Structure-Based Drug Design

Experimental and Computational Approaches

  • Book
  • © 1998

Overview

Editors:
  1. Penelope W. Codding

    1. Department of Chemistry, University of Victoria, Victoria, Canada

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

Part of the book series: NATO Science Series E: (NSSE, volume 352)

This is a preview of subscription content, log in via an institution to check access.

Access this book

Log in via an institution
eBook USD 129.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access

Licence this eBook for your library

Institutional subscriptions

Table of contents (24 chapters)

  1. Front Matter

    Pages i-vii
    Download chapter PDF

  2. Steroid Hormone Structure, Receptor Binding and Activity: Empirical Drug Design

    • W. L. Duax, J. F. Griffin
    Pages 1-14

  3. The Cambridge Structural Database System: Conformational Analysis from Crystallographic Data

    • Frank H. Allen, Nigel A. Pitchford
    Pages 15-26

  4. Sar, Scope and Limitations of Molecular Design Approaches

    • Gerd Folkers
    Pages 27-40

  5. Computational Strategies for Modeling Receptor Flexibility in Studies of Receptor-Ligand Interactions

    • R. C. Wade, S. Lüdemann
    Pages 41-52

  6. Application of Machine Learning in Drug Design

    • Ross D. King
    Pages 53-63

  7. 3D Molecular Similarity Methods

    • Douglas C. Rohrer
    Pages 65-76

  8. Collagenase and Family

    • N. Borkakoti, F. K. Winkler, D. H. Williams, A. D’Arcy, K. Bottomley, D. Bradshaw et al.
    Pages 77-85

  9. Drugs Targeting Influenza Virus Neuraminidase

    • P. M. Colman
    Pages 87-93

  10. From Cyclohexane to FK506 — Conformational Analysis by Molecular Dynamics

    • Flemming Steen Jørgensen, Inge Thøger Christensen, Anja Rabijns
    Pages 95-101

  11. The Use of Uncoded α-Amino Acids Residues in Drug Design

    • Ettore Benedetti, Rosa Iacovino, Michele Saviano
    Pages 103-112

  12. Use of the Cambridge Structural Database to Study Non-Covalent Interactions: Towards a Knowledge Base of Intermolecular Interactions

    • Jason C. Cole, Jos P. M. Lommerse, R. Scott Rowland, Robin Taylor, Frank H. Allen
    Pages 113-124

  13. Immunoconjugates as Anti-Cancer Agents

    • Richard Pauptit, Simon Weston, Siân Rowsell, Dean Derbyshire, Alec Tucker
    Pages 125-139

  14. Database Searching using Protein Crystal Structures and Molecular Docking Procedures

    • Thomas F. Hendrickson, Lana Schaffer
    Pages 141-149

  15. Recent Developments in Applying Machine Learning to Drug Design

    • Ross D. King, Michael J. E. Sternberg, Stephen H. Muggleton, Ashwin Srinivasan
    Pages 151-162

  16. Structure-Based Design of Novel Heparin-Like Anticoagulants

    • Peter D. J. Grootenhuis, Constant A. A. van Boeckel
    Pages 163-173

  17. Structure, Mechanism of Action and Inhibition of Dehydrogenase Enzymes

    • W. L. Duax, D. Ghosh, V. Pletnev
    Pages 175-194

  18. In Search of Hypoglycaemic Agents for the Treatment of Non-Insulin Dependent Diabetes Mellitus

    • K. A. Watson
    Pages 195-210

  19. 3D Molecular Similarity Methods

    • Douglas C. Rohrer, Jordi Mestres
    Pages 211-222

  20. Computational Approaches to Modeling Receptor Flexibility Upon Ligand Binding: Application to Interfacially Activated Enzymes

    • R. C. Wade, V. Sobolev, A. R. Ortiz, G. Peters
    Pages 223-232
Back to top

Keywords

About this book

Structure-Based Drug Design brings together scientists working on different aspects of the subject, demonstrating the necessary collaboration and interdisciplinary approach to this complex area. The focus is on X-ray crystallographic and computational approaches. The general aspects of these approaches are introduced in the first six articles. The remaining articles provide examples of the application of X-ray crystallography, molecular modelling, molecular dynamics, QSAR, database analysis, and homology modelling. The papers cover a wealth of interesting problems in the design of new and enhanced pharmaceuticals.

Editors and Affiliations

  • Department of Chemistry, University of Victoria, Victoria, Canada

    Penelope W. Codding

Bibliographic Information

  • Book Title: Structure-Based Drug Design

  • Book Subtitle: Experimental and Computational Approaches

  • Editors: Penelope W. Codding

  • Series Title: NATO Science Series E:

  • DOI: https://doi.org/10.1007/978-94-015-9028-0

  • Publisher: Springer Dordrecht

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer Science+Business Media Dordrecht 1998

  • Hardcover ISBN: 978-0-7923-5201-3Published: 31 August 1998

  • Softcover ISBN: 978-90-481-5078-6Published: 09 December 2010

  • eBook ISBN: 978-94-015-9028-0Published: 17 April 2013

  • Series ISSN: 0168-132X

  • Edition Number: 1

  • Number of Pages: VIII, 290

  • Topics: Physical Chemistry, Theoretical and Computational Chemistry, Biochemistry, general

Publish with us

Policies and ethics

Back to top

Search

Navigation