تفاصيل الكتاب

978-3-540-31618-3

New Algorithms for Macromolecular Simulation

Publish Date: 2006

ISBN: 978-3-540-31618-3

Internet Resource: Please Login to download book


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.


Subject: Computer Science, Monte Carlo, Potential, algorithms, biology, biomolecular simulation, chemistry, enzymes, genome, macromolecular modeling, modeling, molecular modelling, protein, protein folding, simulation