New Algorithms for Macromolecular Simulation

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.

• | Author: Benedict Leimkuhler
• | Publisher: Springer
• | Publication Date: Dec 20, 2005
• | Number of Pages: 367 pages
• | Binding: Paperback or Softback
• | ISBN-10: 3540255427
• | ISBN-13: 9783540255420