New Algorithms for Macromolecular Simulation [E-Book] / edited by Benedict Leimkuhler, Christophe Chipot, Ron Elber, Aatto Laaksonen, Alan Mark, Tamar Schlick, Christoph Schütte, Robert Skeel.
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...
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Personal Name(s): | Chipot, Christophe, editor |
Elber, Ron, editor / Laaksonen, Aatto, editor / Leimkuhler, Benedict, editor / Mark, Alan, editor / Schlick, Tamar, editor / Schütte, Christoph, editor / Skeel, Robert, editor | |
Imprint: |
Berlin, Heidelberg :
Springer,
2006
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Physical Description: |
XVI, 367 p. 85 illus., 8 illus. in color. online resource. |
Note: |
englisch |
ISBN: |
9783540316183 |
DOI: |
10.1007/3-540-31618-3 |
Series Title: |
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Lecture Notes in Computational Science and Engineering ;
49 |
Subject (ZB): | |
Subject (LOC): | |
Classification: |
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. |