New Algorithms for Macromolecular Simulation

• Corporate Author: SpringerLink (Online service)
• Other Authors: Leimkuhler, Benedict (Editor), Chipot, Christophe (Editor), Elber, Ron (Editor), Laaksonen, Aatto (Editor), Mark, Alan (Editor), Schlick, Tamar (Editor), Schütte, Christoph (Editor), Skeel, Robert (Editor)
• Format: Electronic eBook
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg, 2006.
• Series: Lecture Notes in Computational Science and Engineering, 49
• Subjects: Computer science.; Computer simulation.; Biomathematics.; Physics.; Biomedical engineering.; Computer Science.; Simulation and Modeling.; Mathematical and Computational Biology.; Theoretical, Mathematical and Computational Physics.; Biomedical Engineering.
• Physical Description: XVI, 367 p. 85 illus., 8 illus. in color. online resource.
• ISBN: 9783540316183
• ISSN: 1439-7358 ;

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.