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Computer Modelling in Molecular Biology



Computer Modelling in Molecular Biology

Julia M. Goodfellow (Editor)

ISBN: 978-3-527-61532-2 July 2008 Wiley-Blackwell 259 Pages


This book supplies an application-oriented introduction to molecular simulation techniques used to study a wide range of problems in molecular biology. Each chapter focuses in detail on one kind of application, including the scientific background, the appropriate methodology and the relationship to experimental results.

The book contains many areas of interest to basic and industrial scientists, including:

- flexibility of peptides
- protein-peptide interactions
- ion translocation across membranes
- modelling protein and nucleic acid conformations
- stability of mutant proteins
- modelling conformational transitions

Currently the only up-to-date compilation available, this book enables readers to get an overview of the methods and how they are used in various specialized applications without having to search for them in a large number of papers in different journals.
Colour Illustrations
Introduction to Computer Simulation: Methods and Applications (Julia M. Goodfellow and Mark A. Williams)
Modelling Protein Structures (Tim J. P. Hubbard and Arthur M. Lesk)
Molecular Dynamics Simulations of Peptides (D. J. Osguthorpe and P. K. C. Paul)
Molecular Dynamics and Free Energy Calculations Applied to the Enzyme Barnase and One of its Stability Mutants (Shoshana J. Wodak, Daniel van Belle, and Martine Prévost)
The Use of Molecular Dynamics Simulations for Modelling Nucleic Acids (E. Westhof, C. Rubin-Carrez, and V. Fritsch)
Theory of Transport in Ion Channels (Benoît Roux)
Molecular Modelling and Simulations of Major Histocompatibility Complex Class I Protein-Peptide Interactions (Christopher J. Thorpe and David S. Moss)
Path Energy Minimization: A New Method for the Simulation of Conformational Transitions of Large Molecules (Oliver S. Smart)