Research and Markets: Modeling Solvent Environments: Applications to Simulations of Biomolecules

DUBLIN--(Business Wire)--
Research and Markets
(http://www.researchandmarkets.com/research/014799/modeling_solvent_e) has
announced the addition of John Wiley and Sons Ltd's new report "Modeling Solvent
Environments: Applications to Simulations of Biomolecules" to their offering.

A comprehensive view of the current methods for modeling solvent environments
with contributions from the leading researchers in the field. Throughout, the
emphasis is placed on the application of such models in simulation studies of
biological processes, although the coverage is sufficiently broad to extend to
other systems as well. As such, this monograph treats a full range of topics,
from statistical mechanics-based approaches to popular mean field formalisms,
coarse-grained solvent models, more established explicit, fully atomic solvent
models, and recent advances in applying ab initio methods for modeling solvent
properties.

With contributions from the leading researchers in the field, this book focuses
on the latest advances in modeling solvents in simulations. A full range of
currently used methods and recent developments is covered. The primary audience
consists of graduate and postgraduate students and researchers in both academia
and industry modelling biological systems. Because many of the topics are
equally applicable to non-biological systems, a second audience involves
scientists performing simulations in other fields of chemistry and in materials
scientists.

Key Topics Covered:

INTRODUCTION

* Theoretical and Experimental Views of Biomolecular Solvation

SOLVENT STRUCTURE AND THERMODYNAMICS

* Developing Force Fields from the Microscopic Structure of Solutions: The
Kirkwood-Buff Approach
* Effect of Osmolytes on Biomolecular Solvation
* Statistical Mechanics Modeling of Solvent in Life Sciences
* Solvent Modeling Through Local Dielectric Permittivity

MEAN FIELD MODELS

* Poisson Theory and Generalized Born Approximation
* Implicit Solvent Force Field Optimization
* Implicit Non-Polar Solvation Free Energies
* Calculation of Solubilities with Implicit Solvent
* Fast Analytical Continuum Treatment of Solvation

COARSE-GRAINED AND EXPLICIT SOVENT MODELS

* Coarse-Graining of Water
* A Particle-Based Coarse-Grained Water Model
* Polarizable Models of Aqueous and Non-Aqueous Solvent

For more information visit
http://www.researchandmarkets.com/research/014799/modeling_solvent_e

Research and Markets
Laura Wood, Senior Manager
press@researchandmarkets.com
U.S. Fax: 646-607-1907
Fax (outside U.S.): +353-1-481-1716

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