| Document Type
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BL
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| Record Number
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986034
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| Doc. No
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b740404
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| Title & Author
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Modeling solvent environments : : applications to simulations of biomolecules /\ edited by Michael Feig.
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| Publication Statement
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Weinheim :: Wiley-VCH,, ©2010.
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| Page. NO
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1 online resource (xviii, 316 pages) :: illustrations (some color)
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| ISBN
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1282472321
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: 3527629254
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: 3527629262
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: 9781282472327
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: 9783527629251
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: 9783527629268
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3527324216
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9783527324217
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| Bibliographies/Indexes
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Includes bibliographical references and index.
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| Contents
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Modeling Solvent Environments: Applications to Simulations of Biomolecules; Contents; Preface; List of Contributors; 1: Biomolecular Solvation in Theory and Experiment; 2: Model-Free "Solvent Modeling" in Chemistry and Biochemistry Based on the Statistical Mechanics of Liquids; 3: Developing Force Fields From the Microscopic Structure of Solutions: The Kirkwood-Buff Approach; 4: Osmolyte Influence on Protein Stability: Perspectives of Theory and Experiment; 5: Modeling Aqueous Solvent Effects through Local Properties of Water.
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6: Continuum Electrostatics Solvent Modeling with the Generalized Born Model7: Implicit Solvent Force-Field Optimization; 8: Modeling Protein Solubility in Implicit Solvent; 9: Fast Analytical Continuum Treatments of Solvation; 10: On the Development of State-Specific Coarse-Grained Potentials of Water; 11: Molecular Dynamics Simulations of Biomolecules in a Polarizable Coarse-Grained Solvent; 12: Modeling Electrostatic Polarization in Biological Solvents; Subject Index.
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| Abstract
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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 me.
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| Subject
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Biomolecules-- Mathematical models.
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| Subject
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Solvents-- Mathematical models.
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| Subject
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Biomolecules-- Mathematical models.
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| Subject
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SCIENCE-- Chemistry-- Physical Theoretical.
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| Dewey Classification
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541.3482011
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| LC Classification
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TP247.5.M634 2010
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| Added Entry
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Feig, Michael.
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