New Algorithms for Macromolecular Simulation (Lecture Notes in Computational Science and Engineering)
Springer | 1st Edition | February 10, 2006 | Pages: 367 pages | ISBN: 3540255427 | 4.08Mb, Type: PDF
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.