عنوان
پدید آورنده
موضوع
رده
TP247.5 .M634 2010
TP247
.
5
.
M634
2010
کتابخانه
محل استقرار
1282472321
3527629254
3527629262
9781282472327
9783527629251
9783527629268
3527324216
9783527324217
b740404
Modeling solvent environments :
[Book]
applications to simulations of biomolecules /
edited by Michael Feig.
Weinheim :
Wiley-VCH,
©2010.
1 online resource (xviii, 316 pages) :
illustrations (some color)
Includes bibliographical references and index.
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.
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.
0
8
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.
Modeling solvent environments.
9783527324217
Biomolecules-- Mathematical models.
Solvents-- Mathematical models.
Biomolecules-- Mathematical models.
SCIENCE-- Chemistry-- Physical & Theoretical.
PNR
SCI-- 013050
541
.
3482011
22
TP247
.
5
.
M634
2010
Feig, Michael.
20201204011845.0
pn
مطالعه متن کتاب [Book]
Y
