New Algorithms for Macromolecular Simulation

By Benedict Leimkuhler

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.

• Format: Paperback
• Language: English
• ISBN: 3540255427
• ISBN13: 9783540255420
• Release Date: December 2005
• Publisher: Springer
• Length: 367 Pages
• Weight: 1.18 lbs.
• Dimensions: 0.8" x 6.1" x 9.2"