Computation of molecular electrostatics with boundary element methods.
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Nonlocal Electrostatics in Spherical Geometries Using Eigenfunction Expansions of Boundary-Integral Operators.Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand designAnalysis of fast boundary-integral approximations for modeling electrostatic contributions of molecular bindingProgress in developing Poisson-Boltzmann equation solvers."New-version-fast-multipole-method" accelerated electrostatic interactions in biomolecular systems.Generating triangulated macromolecular surfaces by Euclidean Distance TransformAFMPB: An Adaptive Fast Multipole Poisson-Boltzmann Solver for Calculating Electrostatics in Biomolecular SystemsHydration structure of antithrombin conformers and water transfer during reactive loop insertionAre proteins well-packed?Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applicationsExploring a coarse-grained distributive strategy for finite-difference Poisson-Boltzmann calculations.Order N algorithm for computation of electrostatic interactions in biomolecular systemsAccurate solution of multi-region continuum biomolecule electrostatic problems using the linearized Poisson-Boltzmann equation with curved boundary elements.A "Reverse-Schur" Approach to Optimization With Linear PDE Constraints: Application to Biomolecule Analysis and DesignAcceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units.Numerical integration techniques for curved-element discretizations of molecule-solvent interfaces.Discretization of the induced-charge boundary integral equation.Fast Analytical Methods for Macroscopic Electrostatic Models in Biomolecular Simulations.A revised density function for molecular surface definition in continuum solvent models.Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.Mathematical analysis of the boundary-integral based electrostatics estimation approximation for molecular solvation: exact results for spherical inclusions.Assessment of linear finite-difference Poisson-Boltzmann solversExploring accurate Poisson-Boltzmann methods for biomolecular simulations.AN EFFICIENT HIGHER-ORDER FAST MULTIPOLE BOUNDARY ELEMENT SOLUTION FOR POISSON-BOLTZMANN BASED MOLECULAR ELECTROSTATICS.Reducing grid-dependence in finite-difference Poisson-Boltzmann calculations.Dielectric pressure in continuum electrostatic solvation of biomolecules.Modeling Membrane Protein-Ligand Binding Interactions: The Human Purinergic Platelet Receptor.Charge Central Interpretation of the Full Nonlinear PB Equation: Implications for Accurate and Scalable Modeling of Solvation Interactions.Multiscale molecular dynamics using the matched interface and boundary method.Electrostatic forces in the Poisson-Boltzmann systems.Applications of MMPBSA to Membrane Proteins I: Efficient Numerical Solutions of Periodic Poisson-Boltzmann Equation.Using Correlated Monte Carlo Sampling for Efficiently Solving the Linearized Poisson-Boltzmann Equation Over a Broad Range of Salt Concentration.Numerical Poisson-Boltzmann Model for Continuum Membrane Systems.On removal of charge singularity in Poisson-Boltzmann equation.Bounding the electrostatic free energies associated with linear continuum models of molecular solvation.Numerical interpretation of molecular surface field in dielectric modeling of solvation.A Continuum Poisson-Boltzmann Model for Membrane Channel Proteins.Interpreting the Coulomb-field approximation for generalized-Born electrostatics using boundary-integral equation theory.Application of the thin-shell formulation to the numerical modeling of Stern layer in biomolecular electrostatics.Electrostatics of proteins in dielectric solvent continua. I. An accurate and efficient reaction field description.
P2860
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P2860
Computation of molecular electrostatics with boundary element methods.
description
1997 nî lūn-bûn
@nan
1997 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
1997 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
1997年の論文
@ja
1997年論文
@yue
1997年論文
@zh-hant
1997年論文
@zh-hk
1997年論文
@zh-mo
1997年論文
@zh-tw
1997年论文
@wuu
name
Computation of molecular electrostatics with boundary element methods.
@ast
Computation of molecular electrostatics with boundary element methods.
@en
type
label
Computation of molecular electrostatics with boundary element methods.
@ast
Computation of molecular electrostatics with boundary element methods.
@en
prefLabel
Computation of molecular electrostatics with boundary element methods.
@ast
Computation of molecular electrostatics with boundary element methods.
@en
P2860
P1433
P1476
Computation of molecular electrostatics with boundary element methods.
@en
P2093
Subramaniam S
P2860
P304
P356
10.1016/S0006-3495(97)78213-4
P407
P577
1997-10-01T00:00:00Z