Homology modeling : methods and protocols

著者
    • Orry, Andrew J. W.
    • Abagyan, Ruben
書誌事項

Homology modeling : methods and protocols

edited by Andrew J. W. Orry, Ruben Abagyan

(Methods in molecular biology / John M. Walker, series editor, v. 857)(Springer protocols)

Humana Press : Springer, c2012

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注記

Includes bibliographical references and index

内容説明・目次

内容説明

Knowledge about protein tertiary structure can guide experiments, assist in the understanding of structure-function relationships, and aid the design of new therapeutics for disease. Homology modeling is an in silico method that predicts the tertiary structure of an amino acid sequence based on a homologous experimentally determined structure. In, Homology Modelling: Methods and Protocols experts in the field describe each homology modeling step from first principles, provide case studies for challenging modeling targets and describe methods for the prediction of how other molecules such as drugs can interact with the protein. Written in the highly successful Methods in Molecular Biology (TM) series format, the chapters include the kind of detailed description and implementation advice that is crucial for getting optimal results in the laboratory. Thorough and intuitive, Homology Modelling: Methods and Protocols guides scientists in the available homology modeling methods.

目次

1. Classification of Proteins: Available Structural Space for Molecular Modelling Antonina Andreeva 2. Effective Techniques for Protein Structure Mining Stefan J. Suhrer, Markus Gruber, Markus Wiederstein, Manfred J. Sippl 3. Methods for Sequence-Structure Alignment Ceslovas Venclovas 4. Force Fileds for Homology Modeling Andrew J. Bordner 5. Automated Protein Structure Modeling with SWISS-MODELWorkspace and the Protein Model Portal Lorenza Bordoli and Torsten Schwede 6. A Practical Introduction to Molecular Dynamics Simulations: Applications to Homology Modeling Alessandra Nurisso, Antoine Daina and Ross C. Walker 7. Methods for Accurate Homology Modeling by Global Optimization Keehyoung Joo, Jinwoo Lee, Jooyoung Lee 8. Ligand- Guided Receptor Optimization Vsevolod Katritch, Manuel Rueda, Ruben Abagyan 9. Loop Simulations Maxim Totrov 10. Methods of Protein Structure Comparison Irina Kufareva and Ruben Abagyan 11. Homology Modeling of Class A G Protein-Coupled Receptors Stefano Costanzi 12. Homology Modeling of Transporter Proteins (Carriers and Ion Channels) Aina Westrheim Ravna and Ingebrigy Sylte 13. Methods for the Homology Modeling of Antibody Variable Regions Aroop Sircar 14. Investigation Protein Variants using Structural Calculation Techniques Jonas Carlsson and Bengt Persson 15. Macromolecular Assembly Structures by Comparative Modeling and Electron Microscopy Keren Lasker, Javier A. Velazquez-Muriel, Benjamin M. Webb, Zheng Yang, Thomas E. Ferrin, and Andrej Sali 16. Preparation and Refinement of Model Protein-Ligand Complexes Andrew J.W. Orry and Ruben Abagyan 17. Modeling Peptide-protein Interactions Nir London, Barak Raveh, Ora Schueler-Furman 18. Comparison of Common Homology Modeling Algorithms: Applications of User-defined Alignments Michael A. Dolan, James W. Noah, and Darrell Hurt

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詳細情報
  • NII書誌ID(NCID)
    BB10314902
  • ISBN
    • 9781617795879
  • LCCN
    2011945847
  • 出版国コード
    us
  • タイトル言語コード
    eng
  • 本文言語コード
    eng
  • 出版地
    New York
  • ページ数/冊数
    xi, 419 p.
  • 大きさ
    27 cm
  • 分類
  • 件名
  • 親書誌ID
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