Simulation and Theory of Electrostatic Interactions in Solution: Computational Chemistry, Biophysics and Aqueous Solutions

Beschreibung

This is a book of contributions on the treatment of long-ranged electrostatic interactions in molecular simulations of thermodynamically large systems, and of specific computational applications involving physical chemistry of solutions, dielectric models and hydration, and biomolecules and membranes. The contributors were encouraged to "write what you want graduate students to read when they encounter these problems first" so that this volume will be used for students of physics, chemistry, and biophysics taking up these research problems. Some topics covered are: Molecular theory of solutions; electrostatic interactions; simulation of biological macromolecules and membranes; dielectric models of hydration; molecular dynamics.

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Lawrence R. Pratt

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