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Home > Simulation and theory of electrostatic interactions in solution: computational chemistry, biophysics, and aqueous solutions: Santa Fe, New Mexico, June 1999 / > Implicit Solvent Models for Protein-Ligand Binding: Insights Based on Explicit Solvent Simulations
Simulation and theory of electrostatic interactions in solution: computational chemistry, biophysics, and aqueous solutions: Santa Fe, New Mexico, June 1999 / |
Pratt, Lawrence Riley,; Hummer, Gerhard.
AIP,
Simulation and theory of electrostatic interactions in solution: computational chemistry, biophysics, and aqueous solutions: Santa Fe, New Mexico, June 1999 /
Implicit Solvent Models for Protein-Ligand Binding: Insights Based on Explicit Solvent Simulations
Authors

L. Y. Zhang, E. Gallicchio and R. M. Levy

ARI Id

1675370550404_52406090

Access

Not Available Free

Table of Contents of Book
Showing 1 to 20 of 26 entries
Chapters/HeadingsAuthor(s)PagesInfo
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
Chapters/HeadingsAuthor(s)PagesInfo
Showing 1 to 20 of 26 entries
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