Computational Electrostatics for Biological Applications

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

  • Walter Rocchia
  • Michela Spagnuolo

Table of contents

  1. Front Matter
    Pages i-xii
  2. Ivan Sazanavets, Andrew Cawley, Jim Warwicker
    Pages 1-16
  3. Jan Forsman, Clifford E. Woodward, Ryan Szparaga
    Pages 17-38
  4. Federico Fogolari, Alessandra Corazza, Gennaro Esposito
    Pages 143-155
  5. Sérgio E. D. Dias, Abel J. P. Gomes
    Pages 177-198
  6. Sergio Decherchi, Walter Rocchia
    Pages 199-213
  7. Monica Zoppè, Tiziana Loni
    Pages 215-225
  8. Goran Neshich, Izabella Agostinho Pena Neshich, Fabio Moraes, Jose Augusto Salim, Luiz Borro, Inacio Henrique Yano et al.
    Pages 227-254
  9. Marcin Pacholczyk, Damian Borys, Marek Kimmel
    Pages 297-306

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.


Electrostatic interaction of biomolecules Geometric models for molecular surfaces Molecular Surface Poisson-Boltzmann equation Sampling and meshing molecular surfaces

Editors and affiliations

  • Walter Rocchia
    • 1
  • Michela Spagnuolo
    • 2
  1. 1.CONCEPT Lab - CompuNetIstituto Italiano di TecnologiaGenovaItaly
  2. 2.Institute of Applied Mathematics and InfNational Research CouncilGenovaItaly

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