Continuum molecular electrostatics, salt effects, and counterion binding--a review of the Poisson-Boltzmann theory and its modifications.
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DelPhi: a comprehensive suite for DelPhi software and associated resourcesThe Poisson-Boltzmann model for tRNA: Assessment of the calculation set-up and ionic concentration cutoffSalt dependence of nucleic acid hairpin stabilityUnderstanding nucleic acid-ion interactionsBiomolecular electrostatics and solvation: a computational perspectiveCrystal structure of the halotolerant gamma-glutamyltranspeptidase from Bacillus subtilis in complex with glutamate reveals a unique architecture of the solvent-exposed catalytic pocketInteracting ions in biophysics: real is not idealAnalysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular bindingDissecting electrostatic screening, specific ion binding, and ligand binding in an energetic model for glycine riboswitch folding.Modeling the pharmacodynamics of passive membrane permeabilityPredicting ion binding properties for RNA tertiary structures.Active site detection by spatial conformity and electrostatic analysis--unravelling a proteolytic function in shrimp alkaline phosphatase.Differential geometry based solvation model I: Eulerian formulation.Enumerating pathways of proton abstraction based on a spatial and electrostatic analysis of residues in the catalytic site.Effects of geometry and chemistry on hydrophobic solvation.Binding free energy calculation with QM/MM hybrid methods for Abl-Kinase inhibitorA quantitative measure of electrostatic perturbation in holo and apo enzymes induced by structural changesMultibody correlations in the hydrophobic solvation of glycine peptidesWeb servers and services for electrostatics calculations with APBS and PDB2PQRPoisson-Nernst-Planck equations for simulating biomolecular diffusion-reaction processes II: size effects on ionic distributions and diffusion-reaction rates.Differential geometry based solvation model II: Lagrangian formulation.Salt contribution to RNA tertiary structure folding stabilityOn the role of electrostatics in protein-protein interactions.Adapting Poisson-Boltzmann to the self-consistent mean field theory: application to protein side-chain modeling.Determining the Locations of Ions and Water around DNA from X-Ray Scattering Measurements.The ionic atmosphere around A-RNA: Poisson-Boltzmann and molecular dynamics simulations.Electrostatics of nucleic acid folding under conformational constraintA self-consistent phase-field approach to implicit solvation of charged molecules with Poisson-Boltzmann electrostatics.Problems of robustness in Poisson-Boltzmann binding free energiesIon-mediated RNA structural collapse: effect of spatial confinement.The Role of Correlation and Solvation in Ion Interactions with B-DNACation-Anion Interactions within the Nucleic Acid Ion Atmosphere Revealed by Ion Counting.MEAN-FIELD THEORY AND COMPUTATION OF ELECTROSTATICS WITH IONIC CONCENTRATION DEPENDENT DIELECTRICSPredicting electrostatic forces in RNA folding.Importance of diffuse metal ion binding to RNAYukawa-Field Approximation of Electrostatic Free Energy and Dielectric Boundary Force.Phase-field approach to implicit solvation of biomolecules with Coulomb-field approximation.Competitive adsorption and ordered packing of counterions near highly charged surfaces: From mean-field theory to Monte Carlo simulations.Mean-field description of ionic size effects with nonuniform ionic sizes: a numerical approachDielectric Boundary Force in Molecular Solvation with the Poisson-Boltzmann Free Energy: A Shape Derivative Approach
P2860
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P2860
Continuum molecular electrostatics, salt effects, and counterion binding--a review of the Poisson-Boltzmann theory and its modifications.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
2008年论文
@zh
2008年论文
@zh-cn
name
Continuum molecular electrosta ...... theory and its modifications.
@en
type
label
Continuum molecular electrosta ...... theory and its modifications.
@en
prefLabel
Continuum molecular electrosta ...... theory and its modifications.
@en
P356
P1433
P1476
Continuum molecular electrosta ...... theory and its modifications.
@en
P2093
Paweł Grochowski
P304
P356
10.1002/BIP.20877
P577
2008-02-01T00:00:00Z