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Nonconvex Optimization and Its Applications

Optimization in Computational Chemistry and Molecular Biology

Local and Global Approaches

Editors: Floudas, Christodoulos A., Pardalos, Panos (Eds.)

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About this book

Optimization in Computational Chemistry and Molecular Biology: Local and Global Approaches covers recent developments in optimization techniques for addressing several computational chemistry and biology problems. A tantalizing problem that cuts across the fields of computational chemistry, biology, medicine, engineering and applied mathematics is how proteins fold. Global and local optimization provide a systematic framework of conformational searches for the prediction of three-dimensional protein structures that represent the global minimum free energy, as well as low-energy biomolecular conformations.
Each contribution in the book is essentially expository in nature, but of scholarly treatment. The topics covered include advances in local and global optimization approaches for molecular dynamics and modeling, distance geometry, protein folding, molecular structure refinement, protein and drug design, and molecular and peptide docking.
Audience: The book is addressed not only to researchers in mathematical programming, but to all scientists in various disciplines who use optimization methods in solving problems in computational chemistry and biology.

Table of contents (18 chapters)

Table of contents (18 chapters)
  • Predicting Protein Tertiary Structure using a Global Optimization Algorithm with Smoothing

    Pages 1-18

    Azmi, Aqil (et al.)

  • Methodology for Elucidating the Folding Dynamics of Peptides : Met-enkephalin Case Study

    Pages 19-46

    Klepeis, J. L. (et al.)

  • Energy Landscape Projections of Molecular Potential Functions

    Pages 47-55

    Phillips, Andrew T. (et al.)

  • Global Optimization and Sampling in the Context of Tertiary Structure Prediction: A Comparison of Two Algorithms

    Pages 57-71

    Eyrich, Volker A. (et al.)

  • Protein Folding Simulations by Monte Carlo Simulated Annealing and Multicanonical Algorithm

    Pages 73-90

    Okamoto, Yuko

Buy this book

eBook $179.00
price for USA in USD
  • ISBN 978-1-4757-3218-4
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $229.00
price for USA in USD
  • ISBN 978-0-7923-6155-8
  • Free shipping for individuals worldwide
  • Immediate ebook access, if available*, with your print order
  • Usually dispatched within 3 to 5 business days.
Softcover $229.00
price for USA in USD
  • ISBN 978-1-4419-4826-7
  • Free shipping for individuals worldwide
  • Immediate ebook access, if available*, with your print order
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Optimization in Computational Chemistry and Molecular Biology
Book Subtitle
Local and Global Approaches
Editors
  • Christodoulos A. Floudas
  • Panos Pardalos
Series Title
Nonconvex Optimization and Its Applications
Series Volume
40
Copyright
2000
Publisher
Springer US
Copyright Holder
Springer Science+Business Media Dordrecht
eBook ISBN
978-1-4757-3218-4
DOI
10.1007/978-1-4757-3218-4
Hardcover ISBN
978-0-7923-6155-8
Softcover ISBN
978-1-4419-4826-7
Series ISSN
1571-568X
Edition Number
1
Number of Pages
VII, 342
Topics

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