Molecular Modeling of Proteins

  • Editors
  • Andreas Kukol

Part of the Methods Molecular Biology™ book series (MIMB, volume 443)

Table of contents

  1. Front Matter
    Pages i-xi
  2. Methodology

    1. Erik R. Lindahl
      Pages 3-23
    2. David J. Earl, Michael W. Deem
      Pages 25-36
    3. Jiali Gao, Dan T. Major, Yao Fan, Yen-lin Lin, Shuhua Ma, Kin-Yiu Wong
      Pages 37-62
    4. Olgun Guvench, Alexander D. MacKerell Jr.
      Pages 63-88
    5. Steven Hayward, Bert L. de Groot
      Pages 89-106
  3. Free Energy Calculations

  4. Molecular Modeling of Membrane Proteins

    1. Philip C. Biggin, Peter J. Bond
      Pages 147-160
    2. Marc F. Lensink
      Pages 161-179
  5. Protein Structure Determination

  6. Conformational Change

    1. Haiguang Liu, Shubhra Ghosh Dastidar, Hongxing Lei, Wei Zhang, Matthew C. Lee, Yong Duan
      Pages 258-275
    2. Edyta B. Maɫolepsza
      Pages 297-330
  7. Applications to Drug Design

    1. B. Fischer, H. Merlitz, W. Wenzel
      Pages 353-364
    2. Garrett M. Morris, Marguerita Lim-Wilby
      Pages 365-382
  8. Back Matter
    Pages 383-390

About this book


Molecular modeling has undergone a remarkable transformation in the last 20 years, as biomolecular simulation moves from the realm of specialists to the wider academic community. Molecular Modeling of Proteins provides thorough introductions and a compilation of step-by-step methods applicable to problems faced by non-specialists – especially those new to the software packages used in molecular modeling. Tips on troubleshooting and avoiding common pitfalls are included in this book, along with chapters covering a wide range of subjects ranging from free energy calculation to applications for drug design. Written by an internationally distinguished panel of investigators and outlining the most striking developments in the field, Molecular Modeling of Proteins is an invaluable resource for those in the industry, as well as a cutting-edge reference for students and professionals in the fields of chemistry, biochemistry, biology, biophysics and bioinformatics.


Termination bioinformatics biomolecules membrane proteins molecular modeling protein structure proteins

Bibliographic information

  • DOI
  • Copyright Information Humana Press 2008
  • Publisher Name Humana Press
  • eBook Packages Springer Protocols
  • Print ISBN 978-1-58829-864-5
  • Online ISBN 978-1-59745-177-2
  • Series Print ISSN 1064-3745
  • Series Online ISSN 1940-6029
  • Buy this book on publisher's site
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