Editors:
- Includes supplementary material: sn.pub/extras
Part of the book series: Lecture Notes in Computational Science and Engineering (LNCSE, volume 49)
Buy it now
Buying options
Tax calculation will be finalised at checkout
Other ways to access
This is a preview of subscription content, log in via an institution to check for access.
Table of contents (19 chapters)
-
Front Matter
-
Macromolecular Models: From Theories to Effective Algorithms
-
Front Matter
-
-
Minimization of Complex Molecular Landscapes
-
Front Matter
-
-
Dynamical and Stochastic-Dynamical Foundations for Macromolecular Modelling
-
Front Matter
-
-
Computation of the Free Energy
-
Front Matter
-
-
Fast Electrostatics and Enhanced Solvation Models
-
Front Matter
-
About this 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.
Editors and Affiliations
-
Department of Mathematics, University of Leicester, Leicester, UK
Benedict Leimkuhler
-
Institut nancéien de chimie moléculaire, Université Henri Poincaré - Nancy I, Vandoeuvre-lès-Nancy, France
Christophe Chipot
-
Department of Computer Science, Cornell University, Ithaca, USA
Ron Elber
-
Arrhenius Laboratory Division of Physical Chemistry, Stockholm University, Stockholm, Sweden
Aatto Laaksonen
-
Laboratory of Biophysical Chemistry, University of Groningen, Groningen, The Netherlands
Alan Mark
-
Department of Chemistry, Courant Institute of Mathematical Sciences, New York University, New York, USA
Tamar Schlick
-
FB Mathematik und Informatik, Freie Universität Berlin, Berlin, Germany
Christoph Schütte
-
Department of Computer Science, Purdue University, West Lafayette, USA
Robert Skeel
Bibliographic Information
Book Title: New Algorithms for Macromolecular Simulation
Editors: Benedict Leimkuhler, Christophe Chipot, Ron Elber, Aatto Laaksonen, Alan Mark, Tamar Schlick, Christoph Schütte, … Robert Skeel
Series Title: Lecture Notes in Computational Science and Engineering
DOI: https://doi.org/10.1007/3-540-31618-3
Publisher: Springer Berlin, Heidelberg
eBook Packages: Computer Science, Computer Science (R0)
Copyright Information: Springer-Verlag Berlin Heidelberg 2006
Softcover ISBN: 978-3-540-25542-0Published: 20 December 2005
eBook ISBN: 978-3-540-31618-3Published: 22 March 2006
Series ISSN: 1439-7358
Series E-ISSN: 2197-7100
Edition Number: 1
Number of Pages: XVI, 367
Number of Illustrations: 77 b/w illustrations, 8 illustrations in colour
Topics: Simulation and Modeling, Mathematical and Computational Biology, Theoretical, Mathematical and Computational Physics, Biomedical Engineering and Bioengineering