SIMULATION AND THEORY OF ELECTROSTATIC INTERACTIONS IN SOLUTION: Computational Chemistry, Biophysics, and Aqueous Solutions

Lawrence R. Pratt, Los Alamos National Laboratory, Theoretical Chemistry and Molecular Physics, Los Alamos, NM, USA ; Gerhard Hummer, Los Alamos National Laboratory, Theoretical Biology and Biophysics Group T-10, Los Alamos, NM, USA

Conference Location and Date: Santa Fe, NM, 23-25 June 1999

Subseries: None

Published ; ISBN 1563969068 One Volume, Print; 543 pages; 6 3/8 x 9 1/4 inches;

Readership: Researchers in chemical physics of solutions and computer simulations; biophysicists; physical chemists

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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