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
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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)
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Predicting Protein Tertiary Structure using a Global Optimization Algorithm with Smoothing
Pages 1-18
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Methodology for Elucidating the Folding Dynamics of Peptides : Met-enkephalin Case Study
Pages 19-46
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Energy Landscape Projections of Molecular Potential Functions
Pages 47-55
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Global Optimization and Sampling in the Context of Tertiary Structure Prediction: A Comparison of Two Algorithms
Pages 57-71
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Protein Folding Simulations by Monte Carlo Simulated Annealing and Multicanonical Algorithm
Pages 73-90
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Table of contents (18 chapters)
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Bibliographic Information
- Bibliographic Information
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- Book Title
- Optimization in Computational Chemistry and Molecular Biology
- Book Subtitle
- Local and Global Approaches
- Editors
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- 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
