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  • Conference proceedings
  • © 2015

Multifaceted Roles of Crystallography in Modern Drug Discovery

  • Covering a variety of complementary experimental technologies
  • Providing an up-to-date overview of structure based drug discovery and development
  • Describing macromolecule-centred and ligand-centred techniques
  • Presenting topics of interest to a wide audience, including structural biologists, computational chemists, and medicinal chemists
  • Includes supplementary material: sn.pub/extras

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Table of contents (17 papers)

  1. Front Matter

    Pages i-xi
  2. Engineering G Protein-Coupled Receptors for Drug Design

    • Miles Congreve, Andrew S. Doré, Ali Jazayeri, Rebecca Nonoo
    Pages 1-18
  3. Epigenetic Drug Discovery

    • Chun-wa Chung
    Pages 27-40
  4. Crystallography and Biopharmaceuticals

    • Richard Pauptit
    Pages 41-52
  5. Considerations for Structure-Based Drug Design Targeting HIV-1 Reverse Transcriptase

    • Eddy Arnold, Sergio E. Martinez, Joseph D. Bauman, Kalyan Das
    Pages 69-81
  6. The Protein Data Bank: Overview and Tools for Drug Discovery

    • Helen M. Berman, Peter W. Rose, Shuchismita Dutta, Christine Zardecki, Andreas Prlić
    Pages 93-106
  7. Protein Aggregation and Its Prediction

    • Ricardo Graña-Montes, Salvador Ventura
    Pages 115-127
  8. Protein-Protein Interactions: Structures and Druggability

    • David B. Ascher, Harry C. Jubb, Douglas E. V. Pires, Takashi Ochi, Alicia Higueruelo, Tom L. Blundell
    Pages 141-163
  9. Adventures in Small Molecule Fragment Screening by X-ray Crystallography

    • Joseph D. Bauman, Disha Patel, Eddy Arnold
    Pages 197-208

About this book

The present work offers a snapshot of the state-of-the-art of crystallographic, analytical, and computational methods used in modern drug design and development. Topics discussed include: drug design against complex systems (membrane proteins, cell surface receptors, epigenetic targets, and ribosomes); modulation of protein-protein interactions; the impact of small molecule structures in drug discovery and the application of concepts such as molecular geometry, conformation, and flexibility to drug design; methodologies for understanding and characterizing protein states and protein-ligand interactions during the drug design process; and monoclonal antibody therapies. These methods are illustrated through their application to problems of medical and biological significance, such as viral and bacterial infections, diabetes, autoimmune disease, and CNS diseases. As approaches to drug discovery have changed over time, so have the methodologies used to solve the varied, new, and difficult problems encountered in drug discovery. In recent years we have seen great progress in the fields of genetics, biology, chemistry, and medicine, but there are still many unmet medical needs, from bacterial infections to cancer to chronic maladies, that require novel, different, or better therapies. This work will be of interest to researchers and policy makers interested in the latest developments in drug design.

Editors and Affiliations

  • Structural Chemistry Department, Merck & Co, Inc., Kenilworth, USA

    Giovanna Scapin

  • Center for Advanced Biotechnology and Medicine, and Rutgers University, Piscataway, USA

    Disha Patel, Eddy Arnold

Bibliographic Information

Buy it now

Buying options

eBook USD 84.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 109.00
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 109.99
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