HAPPY HOLIDAYS: Get a special discount on Apress Access! Subscribe today >>

Lecture Notes in Computational Science and Engineering

New Algorithms for Macromolecular Simulation

Editors: Leimkuhler, B., Chipot, C., Elber, R., Laaksonen, A., Mark, A., Schlick, T., Schütte, C., Skeel, R. (Eds.)

Buy this book

eBook $149.00
price for USA
  • ISBN 978-3-540-31618-3
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Download immediately after purchase
Softcover $189.00
price for USA
  • ISBN 978-3-540-25542-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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.

Table of contents (3 chapters)

  • Membrane Protein Simulations: Modelling a Complex Environment

    Peter J. Bond, Jonathan Cuthbertson, Sundeep S. Deol, et al.

    Pages 3-20

  • The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method

    Elena Akhmatskaya, Sebastian Reich

    Pages 141-153

  • Implicit Solvent Electrostatics in Biomolecular Simulation

    Nathan A. Baker, Donald Bashford, David A. Case

    Pages 263-295

Buy this book

eBook $149.00
price for USA
  • ISBN 978-3-540-31618-3
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Download immediately after purchase
Softcover $189.00
price for USA
  • ISBN 978-3-540-25542-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Loading...

Bibliographic Information

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
Series Volume
49
Copyright
2006
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-540-31618-3
DOI
10.1007/3-540-31618-3
Softcover ISBN
978-3-540-25542-0
Series ISSN
1439-7358
Edition Number
1
Number of Pages
XVI, 367
Number of Illustrations and Tables
77 b/w illustrations, 8 illustrations in colour
Topics