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Modeling Solvent Environments: Applications to Simulations of Biomolecules
John Wiley and Sons Ltd, Jan 2010, Pages: 334
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.
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