New Algorithms for Macromolecular Simulation

Ebook Details


Benedict Leimkuhler, Christophe Chipot, Ron Elber

Year 2008
Pages 367
Publisher Springer
Language en
ISBN 9783540255420
File Size 4.11 MB
File Format PDF
Download Counter 63
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Ebook 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.