Multifaceted Roles of Crystallography in Modern Drug Discovery

  • Giovanna Scapin
  • Disha Patel
  • Eddy Arnold

Table of contents

  1. Front Matter
    Pages i-xi
  2. Miles Congreve, Andrew S. Doré, Ali Jazayeri, Rebecca Nonoo
    Pages 1-18
  3. Chun-wa Chung
    Pages 27-40
  4. Richard Pauptit
    Pages 41-52
  5. Eddy Arnold, Sergio E. Martinez, Joseph D. Bauman, Kalyan Das
    Pages 69-81
  6. Helen M. Berman, Peter W. Rose, Shuchismita Dutta, Christine Zardecki, Andreas Prlić
    Pages 93-106
  7. Ricardo Graña-Montes, Salvador Ventura
    Pages 115-127
  8. David B. Ascher, Harry C. Jubb, Douglas E. V. Pires, Takashi Ochi, Alicia Higueruelo, Tom L. Blundell
    Pages 141-163
  9. Joseph D. Bauman, Disha Patel, Eddy Arnold
    Pages 197-208

About these proceedings


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.


Drug Resistance Energetics of protein-ligand interactions GPCR Structures Structural Basis of Pharmacology Structural bioinformatics Structure Based Drug Design

Editors and affiliations

  • Giovanna Scapin
    • 1
  • Disha Patel
    • 2
  • Eddy Arnold
    • 3
  1. 1.Structural Chemistry DepartmentMerck & Co, Inc.KenilworthUSA
  2. 2.Center for Advanced Biotechnology and Medicine, and Rutgers UniversityPiscatawayUSA
  3. 3.Center for Advanced Biotechnology and Medicine, and Rutgers UniversityPiscatawayUSA

Bibliographic information

  • DOI
  • Copyright Information Springer Science+Business Media Dordrecht 2015
  • Publisher Name Springer, Dordrecht
  • eBook Packages Biomedical and Life Sciences
  • Print ISBN 978-94-017-9718-4
  • Online ISBN 978-94-017-9719-1
  • Series Print ISSN 1874-6489
  • Series Online ISSN 1874-6527
  • Buy this book on publisher's site
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