Documents disponibles écrits par cet auteur

Modeling solvent environments / Feig, Michael

Public ISBD Titre : Modeling solvent environments : applications to simulations of biomolecules Type de document : texte imprimé Auteurs : Feig, Michael, Editeur scientifique Editeur : New York : Wiley Année de publication : 2010 Importance : 316 p. Présentation : ill. Format : 25 cm ISBN/ISSN/EAN : 978-3-527-32421-7 Note générale : Notes bibliogr. - Index Langues : Anglais (eng) Mots-clés : Solvants  --  Modèles  mathématiques Biomolécules  --  Modèles  mathématiques Solvents Models,  Theoretical Solvents  --  Mathematical  models Biomolecules  --  Mathematical  models Index. décimale : 66.061 Dissolution. Extraction. Solvants Résumé : 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. Note de contenu : In summary : 1. Theoretical and experimental views of biomolecular solvation 2. Solvent structure and thermodynamics 3. Developing force fields from the microscopic structure of solutions: the kirkwood-buff approach 4. Effect of osmolytes on biomolecular solvation 5. Statistical mechanics modeling of solvent in life sciences 6. Solvent modeling through local dielectric permittivity 7. Mean field models 8. Poisson theory and generalized born approximation 9. Implicit solvent force field optimization 10. Implicit non-polar solvation free energies 11. Calculation of solubilities with implicit solvent ... Modeling solvent environments : applications to simulations of biomolecules [texte imprimé] / Feig, Michael, Editeur scientifique . - New York : Wiley, 2010 . - 316 p. : ill. ; 25 cm. ISBN : 978-3-527-32421-7 Notes bibliogr. - Index Langues : Anglais (eng) Mots-clés : Solvants  --  Modèles  mathématiques Biomolécules  --  Modèles  mathématiques Solvents Models,  Theoretical Solvents  --  Mathematical  models Biomolecules  --  Mathematical  models Index. décimale : 66.061 Dissolution. Extraction. Solvants Résumé : 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. Note de contenu : In summary : 1. Theoretical and experimental views of biomolecular solvation 2. Solvent structure and thermodynamics 3. Developing force fields from the microscopic structure of solutions: the kirkwood-buff approach 4. Effect of osmolytes on biomolecular solvation 5. Statistical mechanics modeling of solvent in life sciences 6. Solvent modeling through local dielectric permittivity 7. Mean field models 8. Poisson theory and generalized born approximation 9. Implicit solvent force field optimization 10. Implicit non-polar solvation free energies 11. Calculation of solubilities with implicit solvent ...

Exemplaires

Code-barres	Cote	Support	Localisation	Section	Disponibilité	Etat_Exemplaire
053746	66.061 MOD	Papier	Bibliothèque Centrale	Génie Chimique	Disponible	Consultation sur place