New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering)

Leimkuhler, Benedict

ISBN 10: 3540255427 / ISBN 13: 9783540255420

Published by Springer, 2006

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Seller Inventory # ERICA77335402554276

Bibliographic Details

• Title: New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering)
• Publisher: Springer
• Publication Date: 2006
• Language: English
• ISBN 10: 3540255427
• ISBN 13: 9783540255420
• Binding: Paperback
• Condition: Like New
• Book Type: book

About this title

Synopsis

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.