3. Protein-Ligand Docking

  1. Dr. David E. Clark
  1. Garrett M. Morris,
  2. Arthur J. Olson and
  3. David S. Goodsell

Published Online: 4 MAR 2008

DOI: 10.1002/9783527613168.ch3

Evolutionary Algorithms in Molecular Design

Evolutionary Algorithms in Molecular Design

How to Cite

Morris, G. M., Olson, A. J. and Goodsell, D. S. (2000) Protein-Ligand Docking, in Evolutionary Algorithms in Molecular Design (ed D. E. Clark), Wiley-VCH Verlag GmbH, Weinheim, Germany. doi: 10.1002/9783527613168.ch3

Editor Information

  1. Computer-Aided Drug Design, Aventis Pharma Ltd., Dagenham Research Centre, Rainham Road South, Dagenham, Essex RM10 7XS, United Kingdom

Publication History

  1. Published Online: 4 MAR 2008
  2. Published Print: 27 JUL 2000

ISBN Information

Print ISBN: 9783527301553

Online ISBN: 9783527613168

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Keywords:

  • genetic algorithm;
  • monte carlo;
  • molecular dynamics;
  • lead molecule;
  • macromolecule

Summary

This chapter contains sections titled:

  • Molecular Structure and Medicine

  • Computational Protein-Ligand Docking

  • Evolutionary Algorithms for Protein-Ligand Docking

  • Published Methods

  • Representation of the Genome

  • Hybrid Evolutionary Algorithms

  • Conclusions