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New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering) - Benedict Leimkuhler, Christophe Chipot, Ron Elber, Aatto Laaksonen, Alan Mark, Tamar Schlick, Christoph Schütte, Robert Skeel

• Title: New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering)
• Editors: Benedict Leimkuhler, Christophe Chipot, Ron Elber, Aatto Laaksonen, Alan Mark, Tamar Schlick, Christoph Schütte, Robert Skeel
• Pages: 367 pages
• Publisher: Springer; 1 edition (February 10, 2006)
• Language: English
• ISBN-10: 3540255427
• ISBN-13: 978-3540255420

Book Description
Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.

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