Research Catalog

Title

Simulation and theory of electrostatic interactions in solution : computational chemistry, biophysics, and aqueous solutions : Santa Fe, New Mexico, June 1999 / editors, Lawrence R. Pratt, Gerhard Hummer.

Publication

Melville, N.Y. : AIP, [1999], ©1999.

Items in the Library & Off-site

Holdings

Details

Additional Authors

• Pratt, Lawrence Riley, 1950-
• Hummer, Gerhard.
• Workshop on Treatment of Electrostatic Interactions in Computer Simulations of Condensed Media (1999 : Santa Fe, N.M.)

Description

ix, 534 pages : illustrations; 25 cm.

Series Statement

AIP conference proceedings, 0094-243X ; 492

Uniform Title

AIP conference proceedings ; no. 492.

Alternative Title

• Electrostatic interactions in solution
• Computational chemistry, biophysics, and aqueous solutions

Subjects

• Chemistry, Physical and theoretical > Computer simulation > Congresses
• Electrostatics > Computer simulation > Congresses
• Biophysics > Computer simulation > Congresses
• Solution (Chemistry) > Electric properties > Computer simulation > Congresses

Note

• Contributions from the Workshop on Treatment of Electrostatic Interactions in Computer Simulations of Condensed Media, 23-25 June 1999.

Bibliography (note)

• Includes bibliographical references and index.

Contents

• Long Range Corrections for Charged Systems / R. M. Lynden-Bell -- Lattice-Sum Methods for Computing Electrostatic Interactions in Molecular Simulations / P. H. Hunenberger -- Treatment of Electrostatic Interactions in Computer Simulations and Calculation of Thermodynamic Properties such as Free Energies and Pressures / G. Hummer, L. R. Pratt and A. E. Garcia / [et al.] -- P3M and PME: A Comparison of the Two Methods / C. Sagui and T. A. Darden -- The Influence of Electrostatic Truncation on Simulations of Polarizable Systems / S. W. Rick -- Multiscale Techniques for Electrostatics and Eigenvalue Problems in Real Space / T. L. Beck -- Remarks on Long Range Interactions in Simulations / E. L. Pollock -- Some Aspects of Solvation / J. K. Percus -- Quasi-Chemical Theory and Implicit Solvent Models for Simulations / L. R. Pratt and S. B. Rempe -- Hydration of the Tetramethylammonium Ion: From Water Structure to the Free Energy of Hydration / S. Garde, G. Hummer and M. E. Paulaitis --
• Phase Diagram of the Lattice Restricted Primitive Model / R. Dickman and G. Stell -- Computer Simulation of Wavevector-Dependent Dielectric Properties of Polar and Nondipolar Liquids / B. M. Ladanyi and B.-C. Perng -- Simulations of Polyelectrolytes: Counterion Condensation, Ion Capture, and Bundle Binding / M. J. Stevens -- A Truncated Adiabatic Basis-Set Approach to Solvent Electronic Structure Variations / B. D. Bursulaya, J. Jeon and C.-N. Yang / [et al.] -- A Hierarchy of Local Electron Correlation Models Based on Atomic Truncations / M. Head-Gordon, M. S. Lee and P. E. Maslen -- Advanced Dielectric Continuum Models of Solvation, Their Connection to Microscopic Solvent Models, and Applications to Electron Transfer Reactions / I. V. Rostov, M. V. Basilevsky and M. D. Newton -- Electronic Reaction Field Cavity Optimization: Extension to Solvation of Molecules / C.-P. Hsu, M. Head-Gordon and T. Head-Gordon --
• An Improved Compressible Electrostatic Continuum Model for Solvation in Supercritical Water / S. C. Tucker and J. T. Vivian -- On the Hydration of Monoatomic Ions / G. J. Tawa, I. A. Topol and S. K. Burt / [et al.] -- A Comparison Between Simulation and Poisson-Boltzmann Fields / B. M. Pettitt and C. V. Valdeavella -- Theoretical Studies of Dielectric Solvation Dynamics / X. Song -- Computational Studies of Redox Potentials of Electron Transfer Proteins / T. Ichiye -- Implicit Solvent Models for Protein-Ligand Binding: Insights Based on Explicit Solvent Simulations / L. Y. Zhang, E. Gallicchio and R. M. Levy -- Generalized Solvent Boundary Potential for Computer Simulations / B. Roux, D. Beglov and W. Im -- Electrostatic Properties of Aqueous Interfaces Probed by Small Solutes / A. Pohorille, M. A. Wilson and K. Schweighofer -- Electrostatics of Membrane Systems - Complex, Heterogeneous Environments / T. B. Woolf, A. Grossfield and D. M. Zuckerman.

ISBN

1563969068

LCCN

99067531

OCLC

ocm43209987

Owning Institutions

Columbia University Libraries