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  • Produktbild: Computational Electrostatics for Biological Applications
  • Produktbild: Computational Electrostatics for Biological Applications

Computational Electrostatics for Biological Applications Geometric and Numerical Approaches to the Description of Electrostatic Interaction Between Macromolecules

147,99 €

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Beschreibung

Produktdetails

Einband

Taschenbuch

Erscheinungsdatum

10.09.2016

Abbildungen

XII, 306 p. 92 illus., 73 illus. in color.

Herausgeber

Walter Rocchia + weitere

Verlag

Springer

Seitenzahl

306

Maße (L/B/H)

23,5/15,5/1,8 cm

Gewicht

487 g

Sprache

Englisch

ISBN

978-3-319-37934-0

Beschreibung

Produktdetails

Einband

Taschenbuch

Erscheinungsdatum

10.09.2016

Abbildungen

XII, 306 p. 92 illus., 73 illus. in color.

Herausgeber

Verlag

Springer

Seitenzahl

306

Maße (L/B/H)

23,5/15,5/1,8 cm

Gewicht

487 g

Sprache

Englisch

ISBN

978-3-319-37934-0

Herstelleradresse

Springer-Verlag KG
Sachsenplatz 4-6
1201 Wien
AT

Email: ProductSafety@springernature.com

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  • Produktbild: Computational Electrostatics for Biological Applications
  • Produktbild: Computational Electrostatics for Biological Applications
  • ELECTROSTATICS and CONTINUUM SOLVENT MODELS
                   
                    Electrostatics models for Biology
    Classical density functional theories of ionic solutions

    Introducing charge hydration asymmetry into continuum electrostatics framework

    NUMERICAL APPROACHES AND SOLVERS
    )
    Continuum electrostatics for Biological Applications: the DelPhi case
    Discontinuous Galerkin schemes for elliptic problems.
     
    Surface Electrostatics Using An Adaptive Cartesian Grid-Based Poisson-Boltzmann Solver
     
    Design, Development and Applications of the MEAD Suite for Macromolecular Electrostatics
     
    Progress and Challenges in Boundary-Integral Methods for Biological Electrostatics
     
    Efficient Boundary Element Method with curved elements for implicit solvation in biological systems
     
    Generalized Born forces: surface integral formulation.
     
    MOLECULAR SURFACE MODELS
     
    Molecular surface design with balls
     
    State-of-the-art and perspectives of implicit modeling for molecular surfaces
     
    A Generic Framework for Delaunay Mesh Generation and Optimization
     
    BROADENING THE VIEW
    Multiscale multiphysics and multidomain models for biomolecular systems
     
    Beyond computation, the representation of electrostatics in biological settings
     
    DEALING WITH COMPUTATIONAL COMPLEXITY
    NanoShaper: a general and robust ray-casting based tool for processing surfaces at the nanoscale
     
    Triangulating Molecular Surfaces with Millions of Atoms
     
    Mixed MPI/CUDAimplementation for PB equation 
     
    APPLICATIONS TO BIOLOGY AND BIOPHYSICS
     
    Control of DNA Minor Groove Width and Electrostatic Potential in Fis Binding Sequences
     
    Computing protein binding properties from molecular electrostatic potentials
     
    Comparative Poisson-Boltzmann equation calculations for binding free energies focusing on physical and algorithmic parameters
     
    Biophysical Applications of the Adaptive Cartesian Grid Poisson-Boltzmann Equation Software Package
     
    Structural and electrostaticdeterminants of interaction specificity in G-protein mediated signaling
     
    Using structural and physical-chemical parameters to identify functional districts in proteins - the role of electrostatic potential
     
    A Molecular Dynamics (MD) insight to the electrostatics of biological (lipid) bilayers. A tool for understanding electroporation mechanisms
     
    Modeling protein-ligand interaction with finite absorbing Markov chain
     
    Molecular Mechanics - Poisson Boltzmann Surface Area calculations using AMBER program package - application to the human dipeptidyl petidase III
     
    Long range Debye-Huckel correction for computation of grid-based electrostatic forces between biomacromolecules
     
    APPLICATIONS TO NANOTECHNOLOGY
    Modeling opto-electronic properties of a dye molecule in proximity of a semiconductor nanoparticle
     
    Modelling of spherical interpolyelectrolyte complexes
     
    Mono-functionalized beta-cyclodextrins as simple and sensitive testbeds for implicit solvation methods and model systems of host-guest interactions
     
    Specific Aspects of Counterion Condensation onto the Poly(styrene-sulfonate) Anion and Poly(allylammonium) Cation studied by Molecular Dynamics Simulations
     
    IPEC Solver: inter-polyelectrolyte complex formation within Poisson-Boltzmann theory