Computational Electrostatics for Biological Applications

Geometric and Numerical Approaches to the Description of Electrostatic Interaction Between Macromolecules

Editors: Rocchia, Walter, Spagnuolo, Michela (Eds.)

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  • ​A unique convergence of mathematical, computational and biophysical knowledge
  • Presentation of state-of-the-art computational techniques for solving the Poisson-Boltzmann partial differential equation including practical repercussions on the computational and modeling sides 
  • A collection of interactive figures supplied as supplementary material to help the readers catch the details of the molecular surfaces
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eBook $129.00
price for USA in USD (gross)
  • ISBN 978-3-319-12211-3
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Hardcover $199.99
price for USA in USD
  • ISBN 978-3-319-12210-6
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  • Usually dispatched within 3 to 5 business days.
Softcover $169.99
price for USA in USD
  • ISBN 978-3-319-37934-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

This book presents established and new approaches to perform calculations of electrostatic interactions at the nanoscale, with particular focus on molecular biology applications. It is based on the proceedings of the Computational Electrostatics for Biological Applications international meeting, which brought together researchers in computational disciplines to discuss and explore diverse methods to improve electrostatic calculations. Fostering an interdisciplinary approach to the description of complex physical and biological problems, this book encompasses contributions originating in the fields of geometry processing, shape modeling, applied mathematics, and computational biology and chemistry. The main topics covered are theoretical and numerical aspects of the solution of the Poisson-Boltzmann equation, surveys and comparison among geometric approaches to the modelling of molecular surfaces and related discretization and computational issues. It also includes a number of contributions addressing applications in biology, biophysics and nanotechnology. The book is primarily intended as a reference for researchers in the computational molecular biology and chemistry fields. As such, it also aims at becoming a key source of information for a wide range of scientists who need to know how modeling and computing at the molecular level may influence the design and interpretation of their experiments.

Table of contents (15 chapters)

Table of contents (15 chapters)
  • Electrostatics Models for Biology

    Sazanavets, Ivan (et al.)

    Pages 1-16

  • Classical Density Functional Theory of Ionic Solutions

    Forsman, Jan (et al.)

    Pages 17-38

  • A Comprehensive Exploration of Physical and Numerical Parameters in the Poisson–Boltzmann Equation for Applications to Receptor–Ligand Binding

    Sørensen, Jesper (et al.)

    Pages 39-71

  • The Adaptive Cartesian Grid-Based Poisson–Boltzmann Solver: Energy and Surface Electrostatic Properties

    Boschitsch, Alexander H. (et al.)

    Pages 73-110

  • Efficient and Stable Method to Solve Poisson–Boltzmann Equation with Steep Gradients

    Huang, Beibei (et al.)

    Pages 111-119

Buy this book

eBook $129.00
price for USA in USD (gross)
  • ISBN 978-3-319-12211-3
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $199.99
price for USA in USD
  • ISBN 978-3-319-12210-6
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $169.99
price for USA in USD
  • ISBN 978-3-319-37934-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Computational Electrostatics for Biological Applications
Book Subtitle
Geometric and Numerical Approaches to the Description of Electrostatic Interaction Between Macromolecules
Editors
  • Walter Rocchia
  • Michela Spagnuolo
Copyright
2015
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing Switzerland
eBook ISBN
978-3-319-12211-3
DOI
10.1007/978-3-319-12211-3
Hardcover ISBN
978-3-319-12210-6
Softcover ISBN
978-3-319-37934-0
Edition Number
1
Number of Pages
XII, 306
Number of Illustrations
19 b/w illustrations, 73 illustrations in colour
Topics