New Algorithms for Macromolecular Simulation - Lecture Notes in Computational Science and Engineering 49 (Paperback)Christophe Chipot (volume editor), Ron Elber (volume editor), Aatto Laaksonen (volume editor), Benedict Leimkuhler (volume editor), Alan Mark (volume editor), Tamar Schlick (volume editor), Christoph Schutte (volume editor), Robert Skeel (volume editor)
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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.
Publisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Number of pages: 367
Weight: 651 g
Dimensions: 235 x 155 x 20 mm
Edition: 2006 ed.