Chapter I-5. Homology Modeling in Biology and Medicine

  1. Prof. Dr. Thomas Lengauer Ph.D.
  1. Prof. Roland L. Dunbrack Jr.

Published Online: 1 APR 2004

DOI: 10.1002/3527601481.ch5

Bioinformatics - From Genomes to Drugs

Bioinformatics - From Genomes to Drugs

How to Cite

Dunbrack, R. L. (2004) Homology Modeling in Biology and Medicine, in Bioinformatics - From Genomes to Drugs (ed T. Lengauer), Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, FRG. doi: 10.1002/3527601481.ch5

Editor Information

  1. Fraunhofer Institute for Algorithms and Scientific Computing (SCAI), Schloss Birlinghoven, D-53754 Sankt Augustin, Germany

Author Information

  1. Institute for Cancer Research, Fox Chase Cancer Center, 7701 Burholme Avenue, Philadelphia, PA 19111, USA

Publication History

  1. Published Online: 1 APR 2004
  2. Published Print: 1 NOV 2001

Book Series:

  1. Methods and Principles in Medicinal Chemistry

Book Series Editors:

  1. Prof. Dr. Raimund Mannhold3,
  2. Prof. Dr. Hugo Kubinyi4 and
  3. Prof. Dr. Gerd Folkers5

Series Editor Information

  1. 3

    Biomedical Research Center, Molecular Drug Research Group, Heinrich-Heine-Universität, Universitätsstraße 1, D-40225 Düsseldorf, Germany

  2. 4

    BASF AG, Ludwigshaften, c/o Donnersbergstrasse g, D-67256 Weisenheim am Sand, Germany

  3. 5

    Department of Applied Biosciences, ETH Zürich, Winterthurer Str. 190, CH-8057 Zürich, Switzerland

ISBN Information

Print ISBN: 9783527299881

Online ISBN: 9783527601486

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Keywords:

  • homology modeling;
  • loop modeling;
  • side-chain modeling;
  • amyloid β-secretase

Summary

This chapter contains sections titled:

  • Introduction

    • The concept of homology modeling

    • How do homologous protein arise?

    • The purposes of homology modeling

    • The effect of the genome projects

  • Input data

  • Methods

    • Modeling at different levels of complexity

    • Loop modeling

    • Side-chain modeling

    • Methods for complete modeling

  • Results

    • Range of targets

    • Example: amyloid precursor protein β-secretase

  • Strengths and limitations

  • Validation

    • Side-chain prediction accuracy

    • The CASP meetings

    • Protein health

  • Availability

  • Appendix

    • Backbone conformations

    • Side-chain conformational analysis