E-Book, Englisch, Band 49, 367 Seiten
Reihe: Lecture Notes in Computational Science and Engineering
Leimkuhler / Chipot / Elber New Algorithms for Macromolecular Simulation
1. Auflage 2006
ISBN: 978-3-540-31618-3
Verlag: Springer Berlin Heidelberg
Format: PDF
Kopierschutz: 1 - PDF Watermark
E-Book, Englisch, Band 49, 367 Seiten
Reihe: Lecture Notes in Computational Science and Engineering
ISBN: 978-3-540-31618-3
Verlag: Springer Berlin Heidelberg
Format: PDF
Kopierschutz: 1 - PDF Watermark
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.
