Modeling Solvent Environments
Applications to Simulations of Biomolecules
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Beschreibung
While much attention has been given tot he development of realistic macromolecular models, this book focuses on latest advances in modeling the equally important solvent environment in an accurate and efficient manner. A comprehensive view of the current methods for modeling solvent environments is presented in 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.
The book presents a comprehensive account of the many recently developed new methods and contrasts their different strengths. 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.
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.
Autor*in
Michael Feig
Themen in »Modeling Solvent Environments«
Biochemie Biochemie u. Chemische Biologie Biochemistry (Chemical Biology) Biowissenschaften Cell & Molecular Biology Chemie Chemistry Computational chemistry Computational Chemistry & Molecular Modeling Computational Chemistry u. Molecular Modeling Life Sciences Pharmaceutical & Medicinal Chemistry Pharmazeutische u. Medizinische Chemie Zell- u. Molekularbiologie