Electrostatics calculations: latest methodological advances
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An advanced coarse-grained nucleosome core particle model for computer simulations of nucleosome-nucleosome interactions under varying ionic conditionsAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsFactors influencing the energetics of electron and proton transfers in proteins. What can be learned from calculations."Solvent hydrogen-bond occlusion": A new model of polar desolvation for biomolecular energetics.Analysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular bindingCharacterizing a partially ordered miniprotein through folding molecular dynamics simulations: Comparison with the experimental data.Selective prediction of interaction sites in protein structures with THEMATICS.Non-bulk-like solvent behavior in the ribosome exit tunnel.Order through disorder: hyper-mobile C-terminal residues stabilize the folded state of a helical peptide. a molecular dynamics studyImage Charge Methods for a Three-Dielectric-Layer Hybrid Solvation Model of Biomolecules.Differential geometry based solvation model I: Eulerian formulation.Bluues: a program for the analysis of the electrostatic properties of proteins based on generalized Born radii.A comparable study of image approximations to the reaction field.Free energy of binding of coiled-coil complexes with different electrostatic environments: the influence of force field polarisation and cappingNew Versions of Image Approximations to the Ionic Solvent Induced Reaction Field.Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applicationsIonic solvation studied by image-charge reaction field method.Differential geometry based solvation model II: Lagrangian formulation.Computational ligand-based rational design: Role of conformational sampling and force fields in model development.Exploring a coarse-grained distributive strategy for finite-difference Poisson-Boltzmann calculations.Adapting Poisson-Boltzmann to the self-consistent mean field theory: application to protein side-chain modeling.Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies.Toward the correction of effective electrostatic forces in explicit-solvent molecular dynamics simulations: restraints on solvent-generated electrostatic potential and solvent polarization.Carboxyl pK(a) values, ion pairs, hydrogen bonding, and the pH-dependence of folding the hyperthermophile proteins Sac7d and Sso7dAcceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units.A method to determine dielectric constants in nonhomogeneous systems: application to biological membranesExtending the Fast Multipole Method for Charges inside a Dielectric Sphere in an Ionic Solvent: High Order Image Approximations for Reaction FieldsEffects of surface water on protein dynamics studied by a novel coarse-grained normal mode approach.Recent advances in implicit solvent-based methods for biomolecular simulationsA new FFT-based algorithm to compute Born radii in the generalized Born theory of biomolecule solvationIncorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics.Generalized image charge solvation model for electrostatic interactions in molecular dynamics simulations of aqueous solutions.Removing systematic errors in interionic potentials of mean force computed in molecular simulations using reaction-field-based electrostaticsBiomolecular simulation and modelling: status, progress and prospects.An image-based reaction field method for electrostatic interactions in molecular dynamics simulations of aqueous solutions.Immobilized pH gradients.Non-Ewald methods: theory and applications to molecular systems.Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations.Measuring the shapes of macromolecules - and why it matters.Multiscale Multiphysics and Multidomain Models I: Basic Theory.
P2860
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P2860
Electrostatics calculations: latest methodological advances
description
2006 nî lūn-bûn
@nan
2006 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2006 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
name
Electrostatics calculations: latest methodological advances
@ast
Electrostatics calculations: latest methodological advances
@en
Electrostatics calculations: latest methodological advances
@nl
type
label
Electrostatics calculations: latest methodological advances
@ast
Electrostatics calculations: latest methodological advances
@en
Electrostatics calculations: latest methodological advances
@nl
prefLabel
Electrostatics calculations: latest methodological advances
@ast
Electrostatics calculations: latest methodological advances
@en
Electrostatics calculations: latest methodological advances
@nl
P1476
Electrostatics calculations: latest methodological advances
@en
P2093
Patrice Koehl
P304
P356
10.1016/J.SBI.2006.03.001
P407
P577
2006-03-15T00:00:00Z