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New Algorithms for Macromolecular Simulation

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New Algorithms for Macromolecular Simulation 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.

About This Edition

ISBN: 9783540255420
Publication date:
Author: C Chipot
Publisher: Springer an imprint of Springer Berlin Heidelberg
Format: Paperback
Pagination: 370 pages
Series: Lecture Notes in Computational Science and Engineering
Genres: Computer modelling and simulation
Computational biology / bioinformatics
Biomedical engineering
Mathematical physics

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